Chem
J-GLOBAL ID：200907060559327061   Nikkaji number：J392.548J

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

3-ヒドロキシエストラ-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： C18H22O2
Molecular formula furigana： C18-H22-O2
Molecular weight： 270.372
InChI： InChI=1S/C18H22O2/c1-18-7-2-3-16(18)14-10-17(20)15-9-11(19)4-5-12(15)13(14)6-8-18/h4-5,9,13-14,16,19H,2-3,6-8,10H2,1H3/t13-,14-,16+,18+/m1/s1
InChI key： KVQUBWUOGRIYLO-DEICHXMPSA-N
SMILES： C[C@@]12CCC[C@H]1[C@@H]1CC(=O)c3cc(O)ccc3[C@H]1CC2
Systematic name  (3)：
  • 3-ヒドロキシエストラ-1,3,5(10)-トリエン-6-オン
  • (3aS,3bS,9bS,11aS)-7-ヒドロキシ-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-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
Other name (1)：
  • 3-Hydroxyestra-1,3,5(10)-trien-6-one
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