Chem
J-GLOBAL ID：200907041482956759   Nikkaji number：J1.243.427H

17-(4-Aminophenylethynyl)-1,3,5(10)-estratriene-3,17β-diol

17-(4-アミノフェニルエチニル)-1,3,5(10)-エストラトリエン-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： C26H29NO2
Molecular formula furigana： C26-H29-N-O2
Molecular weight： 387.523
InChI： InChI=1S/C26H29NO2/c1-25-13-11-22-21-9-7-20(28)16-18(21)4-8-23(22)24(25)12-15-26(25,29)14-10-17-2-5-19(27)6-3-17/h2-3,5-7,9,16,22-24,28-29H,4,8,11-13,15,27H2,1H3/t22-,23-,24+,25+,26+/m1/s1
InChI key： FQPSDHHNLDJLLV-JMTTVTNBSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1ccc(N)cc1
Systematic name  (4)：
  • 17-(4-アミノフェニルエチニル)-1,3,5(10)-エストラトリエン-3,17β-ジオール
  • 17-[(4-アミノフェニル)エチニル]エストラ-1(10),2,4-トリエン-3,17β-ジオール
  • (1S,3aS,3bR,9bS,11aS)-1-[2-(4-アミノフェニル)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
  • (1S,3aS,3bR,9bS,11aS)-1-[2-(4-aminophenyl)ethynyl]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (2)：
  • 17-(4-Aminophenylethynyl)-1,3,5(10)-estratriene-3,17β-diol
  • 17-[(4-Aminophenyl)ethynyl]estra-1(10),2,4-triene-3,17β-diol
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