Chemical Compound

Lithospermic acid B

CAS Registry Number 121521-90-2
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Lithospermic acid B chemical structure
Primary Record

Lithospermic acid B

In stock
7,316 g
Purity
98.8 %
CAS
121521-90-2

Compound Identifiers & Properties

CAS
121521-90-2
PubChem CID
13991587
SMILES
C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@@H]([C@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@@H](CC5=CC(=C(C=C5)O)O)C(=O)O)O)O
Canonical SMILES
O=C(/C=C/c1ccc(O)c2c1[C@H](C(=O)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O

Names & Synonyms

  • Lithospermic acid B
  • Danfensuan B
  • Dan Shen Suan B
  • Salvianolic acid B
  • CHEMBL2261308
  • BDBM50487948
  • C36H30O16
  • ZINC96135261
  • C36-H30-O16
  • A12662
  • 521L902
  • (2R)-2-[(E)-3-[(2S,3S)-3-[(1S)-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
  • 121521-90-2
  • (2R-(2alpha,3beta(R*),4(E(R*))))-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
  • 115939-25-8