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
12302104
SMILES
CC1=C(C(=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)O
Canonical SMILES
COC(=O)[C@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24

Names & Synonyms

  • Brusatol
  • CHEMBL450464
  • SCHEMBL29379221
  • ZZZYHIMVKOHVIH-MWFXHRFLSA-N
  • ZINC100062210
  • AC-35051
  • ST2406734
  • 14907-98-3
  • Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17R)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate