Chem
J-GLOBAL ID：200907085807921032   Nikkaji number：J1.235.617J

17α-Ethynyl-7β-hydroxyestra-5(10)-ene-3-one

17α-エチニル-7β-ヒドロキシエストラ-5(10)-エン-3-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： C20H26O2
Molecular formula furigana： C20-H26-O2
Molecular weight： 298.426
InChI： InChI=1S/C20H26O2/c1-3-13-4-7-17-19-16(8-9-20(13,17)2)15-6-5-14(21)10-12(15)11-18(19)22/h1,13,16-19,22H,4-11H2,2H3/t13-,16-,17+,18+,19-,20-/m1/s1
InChI key： UBWWSNYQHUQXHO-KNHLKMAJSA-N
SMILES： C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2C#C)[C@@H](O)CC1=C3CCC(=O)C1
Systematic name  (3)：
  • 17α-エチニル-7β-ヒドロキシエストラ-5(10)-エン-3-オン
  • (1S,3aS,3bS,4S,9bS,11aS)-1-エチニル-4-ヒドロキシ-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bS,4S,9bS,11aS)-1-ethynyl-4-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1)：
  • 17α-Ethynyl-7β-hydroxyestra-5(10)-ene-3-one
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