Chem
J-GLOBAL ID：200907027291465175   Nikkaji number：J2.653.077F

(8α,9β,14β)-17-Ethynylestra-1(10),2,4-triene-3,17β-diol

(8α,9β,14β)-17-エチニルエストラ-1(10),2,4-トリエン-3,17β-ジオール
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： C20H24O2
Molecular formula furigana： C20-H24-O2
Molecular weight： 296.410
InChI： InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19-,20-/m0/s1
InChI key： BFPYWIDHMRZLRN-KNJMJIDISA-N
SMILES： C[C@]12CC[C@@H]3[C@H](CCc4cc(O)ccc34)[C@H]1CC[C@@]2(O)C#C
Systematic name  (3)：
  • (8α,9β,14β)-17-エチニルエストラ-1(10),2,4-トリエン-3,17β-ジオール
  • (1R,3aR,3bS,9bR,11aS)-1-エチニル-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-1,7-ジオール
  • (1R,3aR,3bS,9bR,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1)：
  • (8α,9β,14β)-17-Ethynylestra-1(10),2,4-triene-3,17β-diol
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