Chemical Compound

4,27-Dimethyl withaferin A

CAS Registry Number 1777780-95-6
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4,27-Dimethyl withaferin A chemical structure
Primary Record

4,27-Dimethyl withaferin A

In stock
6,288 g
Purity
99.5 %
CAS
1777780-95-6

Compound Identifiers & Properties

CAS
1777780-95-6
PubChem CID
163196504
SMILES
CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6OC)C)O5)C)COC
Canonical SMILES
COCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](OC)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC1=O

Names & Synonyms

  • 4,27-Dimethyl withaferin A
  • orb1941439
  • HY-N10356
  • CS-0433499
  • 1777780-95-6
  • (1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-methoxy-15-[(1S)-1-[(2R)-5-(methoxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one