Chem
J-GLOBAL ID:200907051239587325   Nikkaji number:J573.760E

17-(4-Hydroxy-1-butynyl)estra-1,3,5(10)-triene-3,17β-diol

17-(4-ヒドロキシ-1-ブチニル)エストラ-1,3,5(10)-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: C22H28O3
Molecular formula furigana: C22-H28-O3
Molecular weight: 340.463
InChI: InChI=1S/C22H28O3/c1-21-11-8-18-17-7-5-16(24)14-15(17)4-6-19(18)20(21)9-12-22(21,25)10-2-3-13-23/h5,7,14,18-20,23-25H,3-4,6,8-9,11-13H2,1H3/t18-,19-,20+,21+,22+/m1/s1
InChI key: YMIUHVXYGCZXMY-AANPDWTMSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#CCCO
Systematic name  (3):
  • 17-(4-ヒドロキシ-1-ブチニル)エストラ-1,3,5(10)-トリエン-3,17β-ジオール
  • (1S,3aS,3bR,9bS,11aS)-1-(4-ヒドロキシブタ-1-イン-1-イル)-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
  • (1S,3aS,3bR,9bS,11aS)-1-(4-hydroxybut-1-yn-1-yl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1):
  • 17-(4-Hydroxy-1-butynyl)estra-1,3,5(10)-triene-3,17β-diol
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