Chem
J-GLOBAL ID:200907026666709640   Nikkaji number:J2.604.924E

3-Hydroxy-16-[(Z)-benzylidene]estra-1,3,5(10)-triene-17-one

3-ヒドロキシ-16-[(Z)-ベンジリデン]エストラ-1,3,5(10)-トリエン-17-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: C25H26O2
Molecular formula furigana: C25-H26-O2
Molecular weight: 358.481
InChI: InChI=1S/C25H26O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,13-14,21-23,26H,7,9,11-12,15H2,1H3/b18-13-/t21-,22-,23+,25+/m1/s1
InChI key: QXZFHNQLOFFUHO-ZBYBXERPSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C/C(=C/c1ccccc1)/C2=O
Systematic name  (3):
  • 3-ヒドロキシ-16-[(Z)-ベンジリデン]エストラ-1,3,5(10)-トリエン-17-オン
  • (2Z,3aS,3bR,9bS,11aS)-7-ヒドロキシ-11a-メチル-2-(フェニルメチリデン)-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-1-オン
  • (2Z,3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-2-(phenylmethylidene)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (1):
  • 3-Hydroxy-16-[(Z)-benzylidene]estra-1,3,5(10)-triene-17-one
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