Chemical Compound

CHEMBL4758181

CAS Registry Number 23044-66-8
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CHEMBL4758181 chemical structure
Primary Record

CHEMBL4758181

In stock
8,922 g
Purity
98.3 %
CAS
23044-66-8

Compound Identifiers & Properties

CAS
23044-66-8
PubChem CID
101717792
SMILES
C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@@]56[C@@]3([C@H]7C[C@@H](C5)O[C@](O7)(O6)C)C=O
Canonical SMILES
C[C@@]12O[C@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]5(O)[C@@H]4CC[C@@]1(C3)O2

Names & Synonyms

  • CHEMBL4758181
  • SCHEMBL30954255
  • Bersalldegenin-1,3,5-orthoacetate
  • BERSALDEGENIN 1,3,5-ORTHOACETATE
  • J1.514.632J
  • 1beta,3beta,5-[(R)-Ethylidynetris(oxy)]-14-hydroxy-19-oxo-5beta-bufa-20,22-dienolide
  • 1beta,3beta,5-[[(R)-Ethylidyne]trisoxy]-14-hydroxy-19-oxo-5beta-bufa-20,22-dienolide
  • (1S,4R,5S,8R,9R,12S,13R,14R,16R,18S)-5-hydroxy-9,16-dimethyl-8-(2-oxo-2H-pyran-5-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde
  • 23044-66-8