Chemical Compound

9''-Methyl salvianolate B

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

9''-Methyl salvianolate B

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

Compound Identifiers & Properties

CAS
1167424-31-8
PubChem CID
101397601
SMILES
COC(=O)[C@@H](CC1=CC(=C(C=C1)O)O)OC(=O)[C@@H]2[C@H](OC3=C(C=CC(=C23)/C=C/C(=O)O[C@H](CC4=CC(=C(C=C4)O)O)C(=O)O)O)C5=CC(=C(C=C5)O)O
Canonical SMILES
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)[C@H]1c2c(/C=C/C(=O)O[C@H](Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2O[C@@H]1c1ccc(O)c(O)c1

Names & Synonyms

  • 9''-Methyl salvianolate B
  • 9'-MethyllithospermateB
  • 9'''-methyl lithospermate B
  • orb1302414
  • SCHEMBL31324021
  • HY-N2397
  • EBC-617400
  • 1167424-31-8
  • AC-34165
  • MS-31274
  • PD125467
  • CS-0022599
  • J2.293.004D
  • (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy}propanoic acid
  • (R)-3-(3,4-Dihydroxyphenyl)-2-(((E)-3-((2S,3S)-2-(3,4-dihydroxyphenyl)-3-((((R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl)oxy)carbonyl)-7-hydroxy-2,3-dihydrobenzofuran-4-yl)acryloyl)oxy)propanoic acid
  • (alphaR)-alpha-[(E)-3-[[(2S)-3beta-[[(R)-2-(3,4-Dihydroxyphenyl)-1-(methoxycarbonyl)ethoxy]carbonyl]-2alpha-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran]-4-yl]-1-oxo-2-propenyloxy]-3,4-dihydroxybenzenepropionic acid