Chem
J-GLOBAL ID：201707020609361682   Nikkaji number：J3.584.062A

(16E)-16-Benzylidene-3β-hydroxyestra-1,3,5(10)-triene-17-one

(16E)-16-ベンジリデン-3β-ヒドロキシエストラ-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-XCFFBTTBSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C/C(=C\c1ccccc1)/C2=O
Systematic name  (3)：
  • (16E)-16-ベンジリデン-3β-ヒドロキシエストラ-1,3,5(10)-トリエン-17-オン
  • (2E,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
  • (2E,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)：
  • (16E)-16-Benzylidene-3β-hydroxyestra-1,3,5(10)-triene-17-one
Thsaurus map：
Thesaurus Map

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