CAS Registry Number®
121521-90-2
CAS Name
Salvianolic acid B
Molecular Formula
C36H30O16
Molecular Mass
718.61
Compound Properties
-
Melting Point (1)
>250 °C
Source(s)
- (1) Chen, Zhengxiong; Yaoxue Tongbao, (1981), 16(9), 24-5, CAplus
Other Names and Identifiers
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
InChIKey=SNKFFCBZYFGCQN-VWUOOIFGSA-N
SMILES
C(O[C@H](CC1=CC(O)=C(O)C=C1)C(O)=O)(=O)[C@H]2C=3C(O[C@@H]2C4=CC(O)=C(O)C=C4)=C(O)C=CC3/C=C/C(O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O)=O
Canonical SMILES
O=C(OC(C(=O)O)CC1=CC=C(O)C(O)=C1)C=CC2=CC=C(O)C=3OC(C4=CC=C(O)C(O)=C4)C(C(=O)OC(C(=O)O)CC5=CC=C(O)C(O)=C5)C23
Other Names for this Substance
- 3-Benzofurancarboxylic acid, 4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester, (2S,3S)-
- 3-Benzofurancarboxylic acid, 4-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester, [2S-[2α,3β(S*),4[E(S*)]]]-
- 3-Benzofurancarboxylic acid, 4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester, (2S,3S)-
- Lithospermic acid B
- Dan Shen Suan B
- Danfensuan B
- Salvianolic acid B
- ZINC 49538628
- Lithospermate B
- Salvianolate
Deleted or Replaced CAS Registry Numbers
80996-17-4, 115939-25-8, 911193-33-4
