Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Lithospermic acid B
RN: 121521-90-2
UNII: C1GQ844199
InChIKey: SNKFFCBZYFGCQN-VWUOOIFGSA-N

Note

  • Isolated from Salvia miltiorrhiza.

Molecular Formula

  • C36-H30-O16

Molecular Weight

  • 718.617
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Lithospermic acid B

Synonyms

  • 3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethyl) 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylate (2S-(2alpha,3beta(S*),4(E(S*))))-
  • Dan Shen Suan B
  • Danfensuan B
  • Salvianolic acid B
  • UNII-C1GQ844199

Systematic Name

  • 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-(2alpha,3beta(S*),4(E(S*))))-

Registry Numbers

CAS Registry Number

  • 121521-90-2

FDA UNII

  • C1GQ844199

Other Registry Numbers

  • 115939-25-8
  • 80996-17-4
  • 911193-33-4

System Generated Number

  • 0121521902

Structure Descriptors

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-VWUOOIFGSA-N

Smiles

OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c3O[C@@H]([C@@H](C(=O)O[C@H](Cc4ccc(O)c(O)c4)C(=O)O)c23)c5ccc(O)c(O)c5