Chemical Compound

9'-Methyl lithospermate B

CAS Registry Number 1167424-31-8
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9'-Methyl lithospermate B chemical structure
Primary Record

9'-Methyl lithospermate B

In stock
7,203 g
Purity
99.2 %
CAS
1167424-31-8

Compound Identifiers & Properties

CAS
1167424-31-8
PubChem CID
102004853
SMILES
COC(=O)[C@@H](CC1=CC(=C(C=C1)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
Canonical SMILES
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/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

Names & Synonyms

  • 9'-Methyl lithospermate B
  • 9''-Methyl salvianolate B
  • 9-Methyl-lithospermate-B
  • 9'''-Methyl salvianolate B
  • SCHEMBL30857778
  • 1167424-31-8
  • SWB42431
  • s3265
  • ZINC299817527
  • DA-60632
  • PD134082
  • 9 inverted exclamation mark -Methyl lithospermate B
  • (2R)-3-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxypropanoic acid
  • 1167424-32-9