Chemical Compound

SCHEMBL3347112

CAS Registry Number 50731-96-9
SCHEMBL3347112 chemical structure
Primary Record

SCHEMBL3347112

In stock
4,859 g
Purity
98.8 %
CAS
50731-96-9

Compound Identifiers & Properties

CAS
50731-96-9
PubChem CID
15542356
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)C4=C3C=CC(=C4)OC
Canonical SMILES
COc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

Names & Synonyms

  • SCHEMBL3347112
  • 3-O-Methyl-6-oxo 17|A-Estradiol
  • DTXSID10573891
  • 3-O-Methyl-6-oxo 17beta-Estradiol
  • IYIZICLBCDWABT-AFTVQHQSSA-N
  • 3-O-Methyl-6-oxo 17b-Estradiol
  • ZINC77303297
  • 50731-96-9
  • J670.317H
  • (8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one
  • 17|A-Hydroxy-3-methoxy-estra-1,3,5(10)-trien-6-one
  • 17|A-Hydroxy-3-methoxyestra-1,3,5(10)-trien-6-one
  • 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-6-one
  • 3-Methoxy-17beta-hydroxyestra-1,3,5(10)-trien-6-one
  • (17beta)-17-Hydroxy-3-methoxyestra-1,3,5(10)-trien-6-one
  • (1S,3aS,3bR,9bS,11aS)-1-hydroxy-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
  • 17beta-Hydroxy-3-methoxy-estra-1,3,5(10)-trien-6-one; 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-6-one