Chem
J-GLOBAL ID：200907012612575434   Nikkaji number：J392.549H

3-Methoxyestra-1,3,5(10)-trien-6-one

3-メトキシエストラ-1,3,5(10)-トリエン-6-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H24O2
Molecular formula furigana： C19-H24-O2
Molecular weight： 284.399
InChI： InChI=1S/C19H24O2/c1-19-8-3-4-17(19)15-11-18(20)16-10-12(21-2)5-6-13(16)14(15)7-9-19/h5-6,10,14-15,17H,3-4,7-9,11H2,1-2H3/t14-,15-,17+,19+/m1/s1
InChI key： GEBBJQICICCQGH-RRIFGTCXSA-N
SMILES： COc1ccc2[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC(=O)c2c1
Systematic name  (3)：
  • 3-メトキシエストラ-1,3,5(10)-トリエン-6-オン
  • (3aS,3bS,9bS,11aS)-7-メトキシ-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-5-オン
  • (3aS,3bS,9bS,11aS)-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
Other name (1)：
  • 3-Methoxyestra-1,3,5(10)-trien-6-one
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