Chem
J-GLOBAL ID：200907069643175223   Nikkaji number：J528.980G

2-Fluoro-17-ethynyl-17β-estradiol

2-フルオロ-17-エチニル-17β-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： C20H23FO2
Molecular formula furigana： C20-H23-F-O2
Molecular weight： 314.400
InChI： InChI=1S/C20H23FO2/c1-3-20(23)9-7-16-14-5-4-12-10-18(22)17(21)11-15(12)13(14)6-8-19(16,20)2/h1,10-11,13-14,16,22-23H,4-9H2,2H3/t13-,14+,16-,19-,20-/m0/s1
InChI key： OYMVHYFNQJXFGQ-BKRJIHRRSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(F)cc34)[C@@H]1CC[C@@]2(O)C#C
Systematic name  (3)：
  • 2-フルオロ-17-エチニル-17β-エストラジオール
  • (1R,3aS,3bR,9bS,11aS)-1-エチニル-8-フルオロ-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,3aS,3bR,9bS,11aS)-1-ethynyl-8-fluoro-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1)：
  • 2-Fluoro-17-ethynyl-17β-estradiol
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