Chem
J-GLOBAL ID：200907019526698064   Nikkaji number：J1.972.773D

17α-Ethynyl(2,4,16,16-2H4)estradiol

17α-エチニル(2,4,16,16-2H4)エストラジオール
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： C20H20[2H]4O2
Molecular formula furigana： C20-H24-O2
Molecular weight： 300.434
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+/m1/s1/i5D,11D2,12D
InChI key： BFPYWIDHMRZLRN-LJEVPYBISA-N
SMILES： c1([2H])cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])[C@@]4(O)C#C)[C@@H]3CCc2c([2H])c1O
Systematic name  (4)：
  • 17-エチニル(2,4,16,16-2H4)エストラ-1,3,5(10)-トリエン-3,17β-ジオール
  • 17α-エチニル(2,4,16,16-2H4)エストラジオール
  • (1R,3aS,3bR,9bS,11aS)-1-エチニル-11a-メチル(2,2,6,8-2H4)-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,3aS,3bR,9bS,11aS)-1-ethynyl-11a-methyl(2,2,6,8-2H4)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (2)：
  • 17-Ethynyl(2,4,16,16-2H4)estra-1,3,5(10)-triene-3,17β-diol
  • 17α-Ethynyl(2,4,16,16-2H4)estradiol
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