(2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic a cid（CAS号：115939-25-8）

丹酚酸B

基本信息

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CAS号

115939-25-8

分子式

C36H30O16

分子量

718.62 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

物理状态

Powder

SMILES

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C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O

InChI

InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31-,32+/m1/s1

InChIKey

SNKFFCBZYFGCQN-PDVBOLEISA-N

LogP

3.334500000000004

拓扑极性表面积

278.03999999999996 Å²

氢键供体/受体

9 / 16

复杂度

1290

同义词与引用数据

英文

Salvianolic-acid-B
Salvianolic acid B
Danshensuan B
CHEMBL3747259
Salvianic acid B
121521-90-2
(R)-2-(((2R,3R)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid
(2R)-2-{[(2E)-3-[(2R,3R)-3-{[(1R)-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY]CARBONYL}-2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-2,3-DIHYDRO-1-BENZOFURAN-4-YL]PROP-2-ENOYL]OXY}-3-(3,4-DIHYDROXYPHENYL)PROPANOIC ACID
MFCD23115783
Danfensuan B
AS-56980
1607436-77-0
(2R)-2-[(E)-3-[(2R,3R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
AKOS015920258
115939-25-8
(R)-2-((2R,3R)-4-((E)-3-((R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-enyl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid
[2R-[2a,3b-(R*),4[E(R*)]]]-3-Benzofurancarboxylic acid 4-[3-[1-carboxy-2-(3,4-dihydroxy-phenyl) ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydrophenyl)-2,3-dihydro-7-hydroxyl-3-[1-carboxy-2-(3,4-dihydroxyphenyl) ethyl] ester
Lithospermate-B
SALVIANOLIC ACID B (RG)
Salvianolic
SALVIANICACIDB
(R)-2-(((2R,3R)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic aci
2-(((2S,3S)-4-((E)-3-((R)-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY)-3-OXOPROP-1-EN-1-YL)-2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-2,3-DIHYDROBENZOFURAN-3-CARBONYL)OXY)-3-(3,4-DIHYDROXYPHENYL)PROPANOIC ACID
Salvianolic acid B
4-[2-[1-carboxy-2-(3,4-dihydroxy-phenyl)-ethoxycarbonyl]-vinyl]2-(3,4-dihydroxy-phenyl)-7-hydroxy-2,3-dihydro-benzofuran-3-carboxylic acid 1-carboxy-(3,4-dihydroxy-phenyl)-ethyl ester
4-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxybenzofuran-3-carboxylic acid 3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester
[2R-[2a,3b-(R*),4[E(R*)]]]-3-Benzofurancarboxylic acid 4-[3-[1-carboxy-2-(3,4-dihydroxy-phenyl) ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydrophenyl)-2,3-dihydro-7-hydroxyl-3-[1-carboxy-2-(3,4-dihydroxyphen
danfensuan
SALVIANOLIC ACID B(P)
SALVIANOLIC ACID B(RG)(CALL)
Powdered Chinese Salvia Extract (1 g)