Chemical Compound

Brusatol

CAS Registry Number 14907-98-3
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Brusatol chemical structure
Primary Record

Brusatol

In stock
5,377 g
Purity
99.3 %
CAS
14907-98-3

Compound Identifiers & Properties

CAS
14907-98-3
PubChem CID
11670619
SMILES
CC1=CC(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C
Canonical SMILES
COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24

Names & Synonyms

  • Brusatol
  • CID11670619
  • CID 11670619
  • J2.312.129H
  • 13,20-Epoxy-11beta,12alpha-dihydroxy-15beta-[(3-methyl-1-oxo-2-butenyl)oxy]-2,16-dioxopicrasa-3-ene-21-oic acid methyl ester
  • 14907-98-3
  • methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-[(3-methylbut-2-enoyl)oxy]-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate