糖和苷
1,3,4/2,5-环己五醇
C-1 69.0 C-2 75.4 C-3 71.5 C-4 73.0 C-5 68.6 C-6 35.0
S.J.Angyal and L.Odier,The 13CNMR Spectra of Inositols and Cyclohexane-pentols:The Validity of Rules Correlating Chemical Shifts with Configuration,Carbohydr.Res.,1982,100:43-45
1-O-棕榈酰-3-O-α-D-吡喃半乳糖基- 1-6 -β-D-吡喃半乳糖基-丙三醇
C-1 174.5 C-2 34.4 C-3 25.3 C-4~C-17 29.5-32.2 C-18 14.4 Glycerol
C-1 66.6 C-2 69.1 C-3 72.5 β-D-galactosyl
C-1 105.7 C-2 72.7 C-3 74.5 C-4 70.0 C-5 75.1 C-6 68.2 α-D-galactosyl
C-1 101.2 C-2 70.6 C-3 71.7 C-4 70.9 C-5 72.8 C-6 62.8
N.Murakami,T.Morimoto,H.Imamura et al.,Studies on GlycolipidsIII.Glyceroglycolipids from an Axenically Cultured Cyanobacterium,Phormidium tenue,Chem.Pharm.Bull.,1991,39(8):2277-2281
2´-乙酰基类叶升麻苷
2´-Acetylacteoside
(75MHz DMSO-d6) 129.3(A-1) 115.3(A-2) 144.9(A-3) 143.5(A-4) 116.3(A-5) 119.5(A-6) 69.9(A-α) 34.6(A-β) 125.4(E-1) 114.8(E-2) 145.6(E-3) 148.6(E-4) 115.7(E-5) 121.5(E-6) 165.6(E-α) 113.6(E-β) 145.4(E-γ) 99.2(G-1) 73.5(G-2) 78.0(G-3) 69.4(G-4) 74.5(G-5) 60.4(G-6) 20.6(G-CH3) 169.7(G-CO) 102.0(R-1) 70.8(R-2) 70.1(R-3) 71.4(R-4) 68.9(R-5) 18.2(R-6)
(300MHz DMSO-d6):
0.93
1.99
2.61
4.61
6.22
6.44
6.57
6.62
6.76
6.99
7.03
7.48
Kobayashi,H.,Oguchi,H.,Takizawa,N.,et al.New phenylethnoid glycosides from Cistanche tubulosa(SCHRENK)Hook.f.I.Chem.Pharm.Bull.1987,35(8):3309-3314
2´-乙酰基木犀苷 2´-Acetylosmanthuside
(125MHzDMOS-d6)
128.9(A-1) 129.9(A-2) 115.1(A-3) 155.7(A-4)
115.1(A-5)
129.9(A-6)
70.0(A-α)
34.5(A-β)
125.5(E-1)
114.7(E-2)
145.7(E-3)
148.8(E-4)
115.9(E-5)
121.7(E-6)
165.8(E-α)
113.4(E-β)
146.1(E-γ)
99.3(G-1)
73.6(G-2)
78.2(G-3)
69.0(G-4)
74.6(G-5)
60.5(G-6)
20.7(G-CH3)
169.3(G-CO)
102.1(R-1)
70.9(R-2)
70.2(R-3)
71.5(R-4)
69.4(R-5)
18.3(R-6)
(500MHz DMSO-d6): Aglycone
6.97
6.64
6.64
6.97
3.55
3.90
2.65
Ester
7.02
6.75
6.96
6.21
7.46
Glc.
4.60
4.68
3.95
4.80
3.58
3.33
3.39
1.95(CH3)
Rha.
4.59
3.35
3.20
3.06
3.30
0.90
Kobayashi,H.Karasawa,H.Miyase,T.,et al.Studies on the constituents of Cistanchis herba.Ⅲ.Chem.Pharm.Bull.1984,32(8):3009-3014 Yoshizawa,F.,Deyama,T.,Takizawa,N.,et al.The constituents of Cistanchetubulosa(SCHRENK)Hook.f.ⅡChem.Pharm.Bull.1990,38(7):1927-1930
2´-乙酰基肉苁蓉苷C 2´-Acetylcistanoside C
(125MHZMeOH-d): 131.8(A-1) 113.9(A-2) 148.7(A-3) 145.8(A-4) 116.0(A-5) 122.3(A-6) 71.9(A-α) 36.6(A-β) 56.3(A-OMe) 127.6(E-1) 115.2(E-2) 146.7(E-3) 149.6(E-4) 116.5(E-5) 123.2(E-6) 168.1(E-α) 114.5(E-β) 148.2(E-γ) 101.8(G-1) 75.1(G-2) 80.5(G-3) 70.6(G-4) 76.1(G-5) 62.2(G-6) 20.8(G-CH3) 171.3(G-CO) 103.3(R-1) 72.6(R-2) 71.9(R-3) 73.6(R-4) 70.8(R-5) 18.5(R-6)
(500MHz MeOH-d4): Aglycone
6.77
6.69
6.63
4.10
3.52
2.76
3.85(OMe)
Ester
7.03
6.77
6.94
6.26
7.59
Glc.
4.53
4.84
4.00
4.98
3.59
3.62
3.53
1.92(CH3)
Rha.
4.79
3.64
3.65
3.25
3.53
1.06
2-新橙皮糖基-2 6-二羟基-苯甲酸苯甲酯
(DMSO-d6)
C-1 112.6 C-2 155.2 C-3 105.9 C-4 131.2 C-5 109.7 C-6 156.0 C-7 165.9 C-1' 136.4 C-2' 127.8 C-3' 128.4 C-4' 127.8 C-5' 128.4
C-6' 127.8 C-7' 66.0 C-1'' 98.5 C-2'' 77.4 C-3'' 77.0 C-4'' 70.0 C-5'' 77.0 C-6'' 60.8 C-1''' 100.2 C-2''' 70.5 C-3''' 70.5 C-4''' 72.2 C-5''' 68.8 C-6''' 18.1
(DMSO-d6)
H-3 6.62(1H d 8.3) H-4 7.16(1H t 7.8) H-5 6.54(1H d 8.0) H-2' 7.47(1H d 6.9) H-3' 7.35(1H t 7.5) H-4' 7.35(1H t 7.5) H-5' 7.35(1H t 7.5) H-6' 7.47(1H d 6.9) H-7' 5.33 5.22(2H d 12.8)
H-1'' 5.14(1H)
H-4'' 3.0-4.0
H-1''' 5.14(1H)
H-3''' 3.0-4.0
H-6''' 0.98(1H 5.4)
K R Markham,B Ternai,Geiger ey al,Carbon-13 NMR studies of Flavonoids-III Naturally occuring Flavonoid Glycosides and their acylated derivatives,Tetrahedron,1978,34:1389-1397
3,3´,4´-三- 氧-甲基 鞣花酸-4-O-β-D-吡喃葡萄糖苷 3,3´,4´-tri-O-methylellagic acid-4-O-β-D-glucopyranoside
(300MHz DMSO):
7.83
7.67
5.45
5.15
5.05
4.57
4.08
4.04
4.00
刘寿荣,罗平,代月等.多花野牡丹化学成分研究 中药通报 1986,11(12):746-747.
3,3´,4-三- 氧-甲基 鞣花酸 3,3´,4-tri-O-methylellagic acid
(75MHzC5D5N):
159.1(C=O)
154.4
154.3
148.6
42.4
139.6
137.5
115.0
113.5
113.1
112.8
108.1
61.5(OCH3) 61.3(OCH3) 56.6(OCH3)
(300MHz C5D5N)
8.54
8.05
7.82
4.20
4.14
3.86
刘向前,贾忠建,刘自民.狭叶地榆化学成分研究 高等学校化学学报 1992,13(6):767-769.
3,3´-二 氧-甲基 鞣花酸-4-O-β-D-吡喃木糖苷 3,3´-di-O-methylellagic acid-4-O-β-D-xylopyranoside
(100MHz C5D5N):
115.1(C-1) 141.9(C-2) 143.1(C-3) 152.5(C-4) 113.2(C-5) 112.9(C-6) 159.2(C-7) 61.9(3-OCH3) 114.0(C-1´) 142.4(C-2´) 141.3(C-3´) 154.5(C-4´) 113.1(C-5´) 111.7(C-6´) 159.2(C-7´) 61.4(3´-OCH3) 103.7(Xyl-1) 74.5(Xyl-2) 78.1(Xyl-3) 70.7(Xyl-4) 67.4(Xyl-5)
(400MHz C5D5N)
8.42
8.05
5.81
4.97
4.43-4.30
4.27
4.20
3.92
3,4-二咖啡酰基奎宁酸
3,4-di-O-caffeoulquinic acid
R1: H
R2: caffeoyl
R3: caffeoyl
R4: H
(CD3OD)
179.78 (CO)
169.44 (CO)
169.25 (CO)
150.41 (C-4′及C-4″)
148.40 (C-β或C-β′)
148.22 (C-β′或C-β)
147.52 (C-3′及C-3″)
128.58 (C-1′或C-1″)
128.52 (C-1″或C-1)
123.87 (C-6′及C-6″)
117.29 (C-5′及C-5″)
115.98 (C-2′及C-2″)
115.68 (C-α及C-2′)
77.85 (C-1)
77.48 (C-4)
71.08 (C-5)
70.17 (C-3)
41.06 (C-2)
39.51 (C-6)
(CD3OD)
7.57 (1H d J=15.9Hz β-H或β′-H)
7.50 (1H d J=15.9Hz β′-H或β-h)
7.01 (1H d J=2.1Hz 2′-H或2″-H)
6.98 (1H d J=2.1Hz 2″-H或2′-h0
6.89 (1H dd J=8.2 2.1Hz 6′-H或6″-H)
6.87 (1H dd J=8.2 2.1Hz 6′-H或6″-H)
6.73 (2H d J=8.2Hz 5′-H或5″-H)
6.72 (2H d J=8.2Hz 5″-H或5′-H)
6.26 (1H d J=15.9Hz α-H或α′-H)
6.17 (1H d J=15.9Hz α′-H或α-H)
5.66 (1H ddd J=9.8 9.8 4.9Hz 3-H)
5.10 (1H dd J=9.8 2.7Hz 4-H)
4.34 (1H m 5-H)
2.27 (1H dd J=14.0 3.0Hz 6-Hax)
2.20 (2H m 2-Hax及2-Heq)
2.06 (1H m 6-Heq)
Basnet p Matsushige K Hase K et al. Four di-O-caffeoyl quinic acid derivatives from Propolis. Potent hepatoprotective activity in exterimental liver injury models. Bio Pharm Bull 1996 29 8):1479-1484
3,4-二咖啡酰基奎宁酸甲酯
methyl 3,4-di-O-caffeoulquiate
R1:CH3
R2: caffeoyl
R3: caffeoyl
R4: H
(CD3OD)
175.91 (CO)
169.68 (CO)
169.23 (CO)
150.41 (C-4′或C-4″)
150.10 (C-4″或C-4′)
148.49(C-β或C-β′)
148.43 (C-β′或C-β)
147.52 (C-3′及C-3″)
128.43 (C-1′或C-1″)
128.28 (C-1″或C-1′)
123.90 (C-6′及C-6″)
117.23 (C-5′及C-5″)
115.92 (C-2′及C-2″)
115.47 (C-α或C-α′)
115.31 (C-α′或C-α)
76.58 (C-1)
75.70 (C-4)
69.78 (C-3)
69.41 (C-5)
39.39 (C-2)
39.11 C(-6)
53.90 (3H S OCH3)
(CD3OD)
7.61 (1H d J=15.9Hz β-H或β′-H)
7.51 (1H d J=15.9Hz β′-H或β-H)
7.04 (1H d J=2.0Hz 2′-H或2″-H)
7.01 (1H d J=2.0Hz 2″-H或2′-H)
6.93 (1H dd J=8.0 2.0Hz 6′-H或6″-H)
6.91 (1H dd J=8.0 2.0Hz 6″-H或6′-H)
6.75 (2H d J=8.0Hz 5′-H及5″-H)
6.30 (1H d J=15.9Hz α-H及α′-H)
6.17 (1H d J=15.9Hz α-H及α′-H)
5.55 (1H m 3-H)
5.12 (1H dd J=8.0 3.1Hz 4-H)
4.35 (1H dt J=6.1 3.1 3.1Hz 5-H)
2.32 (1H dd J=14.0 3.1Hz 6-Hax)
2.25 (2H m 2-Hax及2-Heq)
2.09 (1H dd J=14.0 6 1Hz 6-Heq)
3.72 (3H s OCH3)
Basnet p Matsushige K Hase K et al. Four di-O-caffeoyl quinic acid derivatives from Propolis. Potent hepatoprotective activity in exterimental liver injury models. Bio Pharm Bull 1996 29 8):1479-1484
3,4-二咖啡酰基奎宁酸乙酯
ethyl 3,4-di-O-caffeoulquiate
R1: CH2CH3
R2: caffeoyl
R3: caffeoyl
R4: H
(d6-acetone)
76.38 (C-1)
39.80 (C-2)
68.73 (C-3)
75.81 (C-4)
69.40 (C-5)
38.65 (C-6)
128.02 (C-1′或C-1″)
127.96 (C-1″或C-1′)
115.88 (C-2′或C-2″)
115.73 (C-2″或C-2′)
146.94 (C-3′或C-3″)
146.75 (C-3″或C-3′)
149.33 (C-4′及C-4″)
116.88 (C-5′及C-5″)
123.11 (C-6′及C-6″)
146.94(C-β或C-β′)
146.75 (C-β′或C-β)
115.88 (C-α或C-α′)
115.73 (C-α′或C-α)
62.36 (CH2)
14.82 (CH3)
174.17 (COO)
167.43 (COO)
167.09 (COO)
(d6-acetone)
2.18(2H m 2-Hax及6-Heq)
2.36 (1H ddd J=13.6 4.6 2.5Hz 2-heq)
5.66 (1H ddd J=9.0 9.0 4.6Hz 3-H)
5.10 (1H dd J=9.0 3.0Hz 4-H)
4.40 (1H m 5-H)
2.30 (1H dd J=14.5 3.0Hz 6-Hax)
7.13 (1H d J=1.8Hz 2′-H或2″-H)
7.12 (1H d J=1.8Hz 2′-H或2″-H)
6.84 (1H d J=8.2Hz 5′-H或5″-H)
6.83 (1H d J=8.2Hz 5′-H或5″-H)
7.01 (1H dd J=8.2 1.8Hz 6′-H或6″-H)
7.00 (1H dd J=8.2 1.8Hz 6′-H或6″-H)
7.57 (1H d J=15.9Hz β-H或β′-H)
7.53 (1H d J=15.9Hz β-H或β′-H)
6.27 (1H d J=15.9Hz α-H及α′-H)
6.21 (1H d J=15.9Hz α′-H及α-H)
4.17 (2H m CH2)
1.25 (3H t J=7.0Hz CH3)
Wang Y Hamburger M Gueho J et al. Cyclohexanecarboxylic-acid derivatives from Psiadia trinervia. Helv Chim Acta 1992 75 1):269-275
3,5-二咖啡酰基奎宁酸甲酯
methyl 3,5-di-O-caffeoulquiate
R1: CH3
R2: caffeoyl
R3: H
R4: caffeoyl
(CD3OD)
176.39(CO)
169.71(CO)
169.50(CO)
150.50(C-4′或C-4″)
150.32(C-4″或C-4′)
148.42(C-β或C-β′)
147.95(C-β′或C-β)
147.55(C-3′及C-3″)
128.64(C-1′或C-1″)
128.37(C-1″或C-1′)
123.84(C-6′及C-6″)
123.78(C-6″及C-6′)
117.35(C-5′及C-5″)
117.26(C-5″及C-5′)
115.92(C-2′及C-2″)
116.22(C-α或C-α′)
115.62(C-α′或C-α)
75.39(C-1)
72.96(C-5)
72.72(C-4)
70.47(C-3)
37.48(C-2)
36.41(C-6)
53.81(OCH3)
(CD3OD)
7.62(1H d J=15.9Hz β-H或β′-H)
7.55(1H d J=15.9Hz β′-H或β-H)
7.07(1H d J=2.1Hz 2′-H或2″-H)
7.06(1H d J=2.1Hz 2″-H或2′-H)
6.98(1H dd J=8.2 2.1Hz 6′-H)
6.96(1H dd J=8.2 2.1Hz 6″-H)
6.79(1H d J=8.2Hz 5′-H及5″-H)
6.78(1H d J=8.2Hz 5″-H及5′-H)
6.34(1H d J=15.9Hz α-H及α′-H)
6.22(1H d J=15.9Hz α′-H及α-H)
5.40(1H m 5-H)
5.30(1H m 3-H)
3.98(1H dd J=6.7 3.1Hz 4-H)
2.31(2H m)及2.16(2H m)为2-H及6-H
3.69(3H s)
陈敏,吴威巍,沈国强等.灰毡毛忍冬化学成分研究V灰毡毛忍冬素F和G的结构测定.药学学报 1994,29(8):617-620
3,5-二咖啡酰基奎宁酸乙酯
ethyl 3,5-di-O-caffeoulquiate
R1: CH2CH3
R2: caffeoyl
R3: H
R4: caffeoyl
(CD3OD)
175.94(CO)
169.77(CO)
169.53(CO)
150.53(C-4′或C-4″)
150.32(C-4″或C-4′)
148.19(C-β或C-β′)
147.68(C-β′或C-β)
147.58(C-3′及C-3″)
128.70(C-1′或C-1″)
128.43(C-1″或C-1′)
123.84(C-6′及C-6″)
123.78(C-6″及C-6′)
117.35(C-5′及C-5″)
117.29(C-5″及C-5′)
115.95(C-2′及C-2″)
116.28(C-α或C-α′)
115.68(C-α′或C-α)
75.36(C-1)
73.09(C-5)
72.75(C-4)
70.54(C-3)
37.44(C-2)
36.41(C-6)
63.34(OCH3)
15.07(CH3)
(CD3OD)
7.62(1H d J=15.9Hz β-H或β′-H)
7.54(1H d J=15.9Hz β′-H或β-H)
7.06(1H d J=2.1Hz 2′-H或2″-H)
7.04(1H d J=2.1Hz 2″-H或2′-H)
6.95(2H dd J=8.2 2.1Hz 6′-H及 6″-H)
6.78(1H d J=8.2Hz 5′-H及5″-H)
6.77(1H d J=8.2Hz 5″-H及5′-H)
6.33(1H d J=15.9Hz α-H及α′-H)
6.21(1H d J=15.9Hz α′-H及α-H)
5.41(1H m 5-H)
5.31(1H m 3-H)
3.98(1H dd J=6.7 3.1Hz 4-H)
2.33(2H m)及2.16(2H m)为2-H及6-H
4.15(2H m CH2)
1.25(3H t J=7.0Hz CH3)
陈敏,吴威巍,沈国强等.灰毡毛忍冬化学成分研究V灰毡毛忍冬素F和G的结构测定.药学学报 1994,29(8):617-620
3´- 氧-甲基 鞣花酸-4-O-α-L-鼠李糖苷 3´-O-methylellagic acid-4-O-α-L-rhamnoside
(75MHzDMSO):
160.0(C=O) 159.3(C=O)
152.0
148.6
142.4
139.6
137.5
115.0
114.8
113.7
112.6
110.3
99.1(Rha-1")
72.1
70.4
70.1
69.3(Rha-5") 60.7(3´-OCH3) 17.9(Rha-6")
(300MHz DMSO):
7.63
7.50
5.47
4.00
3.95
3.79
3.56
3.31
1.10
Ng,Ang-Ser.3-O-Methylellagic acid-4´-O-α-rhamnoside from Alangium ridleyi.Bull Singapore Natl Inst Chem 1994,22:53-56.
3-O-阿魏酸甲酯
methyl 3-O-feruloylquiuate
R1: H
R2: feruloyl
R3: H
R4: H
(CD3OD)
176.18(CO)
169.02(CO)
151.44(C-4′)
150.13(C-3′)
147.83(C-β)
128.37(C-1′)
124.88(C-6′)
117.29(C-5′)
116.19(C-α)
112.46(C-2′)
76.67(C-1)
73.48(C-4)
72.84(C-3)
71.23(C-5)
38.81(C-2或C-6)
38.72(C-6或C-2)
57.21(3′-OCH3)
53.75(COOCH3)
(CD3OD)
7.59(1H d J=15.9Hz β-H)
7.17(1H d J=1.8Hz 2′-h)
7.07(1H dd J=8.0 1.8Hz 6′-H)
6.81(1H d J=8.0Hz 5′-H)
6.32(1H d J=15.9Hz α-H)
5.29(1H ddd J=7.6 7.6 4.3Hz 3-H)
4.14(1H dt J=6.4 3.0 3.0Hz 5-H)
3.74(1H d J=7.6 3.0Hz 4-H)
2.21(2H m 2-Heq及6-Hax)
2.13(1H dd J=13.5 7.6Hz 2-Hax)
2.02(1H dd J=12.8 6.4Hz 6-Heq)
3.89(3H s 3′-OCH3)
3.69(3H s COOCH3)
Ida y Satoh Y Ohtsuka M et al. Phenolic constituents of Phellodenron amurense bark. Phytochemistry 1994 35 1):209-215
3-甲氧基肌醇3-methoxyinositol
(125.0MHzDMSO-d6):
84.0(C-3) 72.8(C-4) 72.6(C-6) 72.2(C-1) 71.1(C-2) 70.3(C-5) 59.8(3-OMe)
Angyal S.J.The effect of O-methylation on the chemical shifts in the H and C NMR speatra of cyclicpolyols.Carbonhydrate Research,1983,123:23-29.
4,5-二咖啡酰基奎宁酸甲酯
methyl 4,5-di-O-caffeoulquiate
R1: CH3
R2: H
R3: caffeoyl
R4: caffeoyl
(CD3OD)
76.55(C-1)
42.12(C-2ax)
37.60(C-6ax)
66.83(C-3)
70.66(C-4)
75.97(C-5)
128.55(C-1′或C-1″)
128.46(C-1″或C-1′)
115.98(C-2′或C-2″)
115.89(C-2″或C-2′)
147.55(C-3′或C-3″)
150.38(C-4′或C-4″)
117.26(C-5′或C-5″)
124.03(C-6′或C-6″)
123.90(C-6″或C-6′)
148.16(C-β或C-β′)
115.83(C-α或C-α′)
115.65(C-α′或C-α)
53.78(OCH3)
169.32(COO)
169.23(COO)
176.91(COO)
(CD3OD)
2.15(3H m 2-Hax或2-Heq或6-Hax)
2.35(1H dd J=14.7 3.7Hz 6-Heq)
4.33(1H ddd J=8.6 8.6 4.6Hz 3-H)
5.04(1H dd J=8.6 3.7Hz 4-H)
5.63(1H dt J=5.2 3.7 3.7Hz 5-H)
7.04(1H d J=2.1Hz 2′-H或2″-H)
7.03(1H d J=2.1Hz 2″-H或2′-H)
6.77(1H d J=8.0Hz 5′-H及5″-H)
6.74(1H d J=8.0Hz 5″-H及5′-H)
6.92(1H dd J=8.0 2.1Hz 6′-H及 6″-H)
6.89(1H dd J=8.0 2.1Hz 6″-H及 6′-H)
7.56(1H d J=15.9Hz β-H或β′-H)
7.55(1H d J=15.9Hz β′-H或β-H)
6.28(1H d J=15.9Hz α-H及α′-H)
6.27(1H d J=15.9Hz α′-H及α-H)
3.76(3H s OCH3)
Basnet P Matsushige K Hase K et al. Four di-O-caffeoyl quinic acid derivatives from Propolis. Potent hepatoprotective activity in exterimental liver injury models. Bio Pharm Bull 1996 29 8):1479-1484
4-O-咖啡酰基奎宁酸甲酯
methyl 4-O-caffeylquiuate
R1: CH3
R2: H
R3: caffeoyl
R4: H
(CD3OD)
7.63(1H d J=15.9Hz β-H)
7.06(1H d J=2.1Hz 2′-H)
6.96(1H dd J=8.2 2.1Hz 6′-H)
6.78(1H d J=8.2Hz 5′-H)
6.36(1H d J=15.9Hz α-H)
4.81(1H d J=8.5 3.1Hz 4-H)
4.28(1H dt J=5.2 3.1 3.1Hz 5-H)
4.25(1H ddd J=8.5 8.5 4.3Hz 3-H)
2.20(1H dd J=14.0 3.1Hz 6-Hax)
2.16(1H dddd J=13.4 4.3 2.4Hz 2-Heq)
2.05(1H ddd J=14.0 5.2 2.4Hz 6-Heq)
2.01(1H dd J=13.4 8.5Hz 2-Hax)
3.75(3H s OCH3)
Fuchs C Spiteller G. Rapid and easy identification of isomers of coumaroyl-and caffeoyl-D-quinic acid by Gas Chromatography/Mass spectrometry.Journal of Mass Spectrometry 1996 31 6):602-608
4-O-咖啡酰基奎宁酸乙酯
ethyl 4-O-caffeylquiuate
R1: CH2CH3
R2: H
R3: caffeoyl
R4: H
(CD3OD)
175.20(CO)
168.93(CO)
149.55(C-4′)
147.13(C-β)
146.80(C-3′)
127.84(C-1′)
122.95(C-6′)
116.47(C-5′)
115.34(C-α)
115.15(C-2′)
78.71(C-4)
76.41(C-1)
69.13(C-5)
65.66(C-3)
42.25(C-2)
38.38(C-6)
62.75(CH2)
14.40(CH3)
(CD3OD)
7.63(1H d J=16.1Hz β-H)
7.06(1H d J=2.0Hz 2′-H)
6.96(1H dd J=8.3 2.0Hz 6′-H)
6.78(1H d J=8.3Hz 5′-H)
6.36(1H d J=16.1Hz α-H)
4.81(1H d J=8.8 2.9Hz 4-H)
4.29(1H m 5-H)
4.26(1H ddd J=8.8 8.8 5.1Hz 3-H)
2.19(1H dd J=14.4 3.5Hz 6-Hax)
2.16(1H dddd J=13.4 5.1 2.2Hz 2-Heq)
2.04(1H ddd J=14.4 4.9 2.2Hz 6-Heq)
2.01(1H dd J=13.4 8.8Hz 2-Hax)
4.20(2H m CH2)
1.29(3H t J=7.3Hz CH3)
Fuchs C Spiteller G. Rapid and easy identification of isomers of coumaroyl-and caffeoyl-D-quinic acid by Gas Chromatography/Mass spectrometry.Journal of Mass Spectrometry 1996 31 6):602-608
adenosine
(125.0MHz
pyridine-d5):
156.3(C-6) 152.6(C-2) 149.2(C-4) 140.2(C-8) 119.5(C-5) 88.2(C-1´) 86.1(C-4) 73.7(C-2´) 70.9(C-3´) 61.9(C-5´)
(500.0MHz
pyridine-d5):
8.71
8.60
8.39
6.76
5.50
5.09
4.75
4.32
4.13
benzylalcohol O-α-L-arabinopyranosyl(1→6)-β-D-glucopyranoside
(125.0MHzCD3OD)
139.0(C-1) 129.2(C-2,6) 129.1(C-3,5) 128.6(C-4) 103.3(C-1´) 75.0(C-2´) 77.8(C-3´) 71.5(C-4´) 76.8(C-5´) 69.5(C-6´) 105.1(C-1") 72.3(C-2") 74.1(C-3") 69.4(C-4") 66.7(C-5")
(500.0MHzCD3OD):
6.39
6.88
6.22
4.66
3.68
Cui B.L.,Nakamura M,Kinjo J.,et al.Chemical constituents of Astragali semen,Chem Pharm Bull,1993,41(1):178-182
cis-piceid
(125.0MHzDMSO-d6):
141.4(C-1) 109.2(C-2) 160.1(C-3) 103.9(C-4) 159.3(C-5) 111.1(C-6) 129.0(C-α) 131.3(C-β) 129.9(C-1´) 131.4(C-2´6´) 116.0(C-3´5´) 157.7(C-4´) 102.3(C-1") 74.8(C-2") 77.9(C-3") 71.0(C-4") 77.8(C-5") 62.2(C-6")
(500.0MHzDMSO-d6):
6.34
6.40
6.50
6.37
6.46
7.07
6.64
4.68
Gamnis J.,Hiranthi J.Kinase inhibitors from Polygonum cuspidatum.J Nat Prod,56(10):1805-1810
D-2-O-甲基-手-肌醇 D-2-O-methyl-chiro-inosital
(DMSO 300/4MHz)
72.4(C-1)
70.1(C-2)
83.8(C-3)
72.6(C-4)
70.9(C-5)
72.0(C-6)
59.7(C2-CH3)
(DMSO 300Hz)
4.35(1H d 5.4) 4.47(1H d 6.3) 4.52(1H d 4.8) 4.63(1H d 1.8) 4.72(1H d 2.1) 2.97(1H t 9)
3.44(3H s)
Douglas E.Dorman,S.T.Angyal and Uohn D.Roberts.,Carbon-13 spectra of some inositols and their O-methylated derivatives.J.Amer Chem Soc,1970,92(5):1351-1354
methoxyhydroquinone-1-O-β-D-glucopyranoside
(125.0MHz
DMSO-d6):
139.6(C-1) 150.2(C-2) 101.1(C-3) 153.0(C-4) 117.6(C-5) 106.2(C-6) 101.7(C-1") 73.6(C-2") 77.1(C-3") 70.0(C-4") 77.0(C-5") 61.0(C-6") 55.8(2-OCH3)
(500.0MHz
DMSO-d6):
6.39
6.88
6.22
4.66
3.68
Inoshiri S.,Sasaki M.,Kohda H.,et al.Aromatic glycosides from Berchemia racemosa.Phytochemistry,1987,26(10):2811-16.
methoxyhydroquinone-4-O-β-D-glucopyranoside
(125.0MHz
DMSO-d6):
141.5(C-1) 148.0(C-2) 102.7(C-3) 150.9(C-4) 108.2(C-5) 115.4(C-6) 101.9(C-1") 73.5(C-2") 77.3(C-3") 70.1(C-4") 76.9(C-5") 61.0(C-6") 55.7(2-OCH3)
(500.0MHz
DMSO-d6):
4.66
6.67
6.64
6.44
3.72
Inoshiri S.,Sasaki M.,Kohda H.,et al.Aromatic glycosides from Berchemia racemosa.Phytochemistry,1987,26(10):2811-16.
roseoside
(125.0MHz CD3OD) 167.1(C-1) 127.1(C-2) 201.3(C-3) 50.7(C-4) 42.4(C-5) 80.0(C-6) 133.6(C-7) 133.7(C-8) 74.6(C-9) 22.2(C-10) 19.6(C-11) 24.7(C-12) 23.5(C-13) 101.2(C-1´) 74.9(C-2´) 78.5(C-3´) 71.7(C-4´) 78.2(C-5´) 62.8(C-6´)
(500.0MHz CD3OD):
5.86
5.97
5.72
1.28
1.84
1.00
1.03
2.61
2.66
4.26
4.53
Cui B.L.,Nakamura M,Kinjo J.,et al.Chemical constituents of Astragali semen,Chem Pharm Bull,1993,41(1):178-182
sphaerophyside SC
(125.0MHz CD3OD)
117.6(C-1) 32.6(C-2) 79.5(C-3) 38.8(C-4) 46.1(C-5) 36.8(C-6) 74.9(C-7) 55.9(C-8) 139.3(C-9) 140.6(C-10) 126.6(C-11) 38.5(C-12) 46.7(C-13) 49.3(C-14) 36.2(C-15) 29.3(C-16) 52.0(C-17) 15.3(C-18) 45.8(C-19) 35.0(C-20) 19.2(C-21) 37.9(C-22) 29.3(C-23) 75.5(C-24) 81.9(C-25) 21.3(C-26) 23.8(C-27) 24.9(C-28) 13.4(C-29) 19.5(C-30) 98.6(C-1´) 75.2(C-2´) 78.1(C-3´) 71.6(C-4´) 77.7(C-5´) 62.6(C-6´)
(500.0MHz CD3OD):
5.27
1.70
2.19
3.39
1.66
1.90
3.80
2.14
5.36
2.08
1.95
1.52
1.56
1.62
0.73
2.75
3.02
1.40
0.92
1.95
3.36
1.24
1.21
1.02
0.69
0.92
4.61
3.16
3.34
3.30
3.31
3.64
3.81
sphaerophyside SD
(125.0MHz CD3OD) 118.1(C-1) 32.3(C-2) 85.6(C-3) 38.9(C-4) 46.4(C-5) 37.0(C-6) 74.8(C-7) 55.8(C-8) 137.5(C-9) 140.0(C-10) 126.3(C-11) 38.5(C-12) 46.7(C-13) 49.4(C-14) 36.2(C-15) 29.3(C-16) 52.0(C-17) 15.3(C-18) 45.8(C-19) 35.0(C-20) 19.2(C-21) 37.9(C-22) 29.1(C-23) 80.6(C-24) 73.9(C-25) 24.7(C-26) 25.8(C-27) 25.0(C-28) 14.8(C-29) 19.4(C-30) 106.2(C-1´) 75.6(C-2´) 78.2(C-3´) 71.7(C-4´) 77.7(C-5´) 62.8(C-6´)
(500.0MHz CD3OD):
5.27
2.06
2.45
3.43
1.76
1.94
1.81
3.80
2.15
5.35
2.03
1.97
1.74
1.91
1.62
0.73
2.73
3.01
1.38
0.93
1.51
1.20
3.15
1.12
1.16
1.11
0.79
0.92
4.30
3.17
3.35
3.27
3.29
3.64
3.82
Tachioside
(75MHz,DMSO-d6)
150.8(C-4),
147.9(C-2),
141.4(C-1),
115.3(C-6),
108.0(C-5),
102.5(C-3),
101.8(C-1’),
77.2(C-3’),
76.8(C-5’),
73.4(C-2’),
70.0(C-4’),
60.9(C-6’),
55.6(C-OCH3)。
(300MHz,DMSO-d6)
8.54(1H,s,-OH),
6.67(1H,br.s,H-3),
6.63(1H,dd,J=8.5,2.5Hz,H-6),
6.44(1H,d,J=8.5Hz,H-5),
5.26(1H,d,J=6.5Hz,H-1’),
3.71(3H,s,-OCH3)。
Inoshiri S, Sasaki M, Kohda H,et al. Aromatic glycosides from Berchemia racemosa.Phytochemistry, 1987, 26(10): 2811
uridine
(125.0MHz DMSO-d6):
163.3(C-4) 151.0(C-2) 140.9(C-6) 102.0(C-5) 87.9(C-1´) 85.1(C-4) 73.8(C-2´) 70.1(C-3´) 61.1(C-5´)
(500.0MHz DMSO-d6):
11.00
10.81
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