Chem
J-GLOBAL ID：200907060744629619   Nikkaji number：J528.982C

2-Fluoro-4-hydroxy-17-ethynyl-17β-estradiol

2-フルオロ-4-ヒドロキシ-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： C20H23FO3
Molecular formula furigana： C20-H23-F-O3
Molecular weight： 330.399
InChI： InChI=1S/C20H23FO3/c1-3-20(24)9-7-15-12-4-5-13-14(10-16(21)18(23)17(13)22)11(12)6-8-19(15,20)2/h1,10-12,15,22-24H,4-9H2,2H3/t11-,12+,15-,19-,20-/m0/s1
InChI key： ZWSRVZYGKXJGAI-QEIBRJLASA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)c(F)cc34)[C@@H]1CC[C@@]2(O)C#C
Systematic name  (3)：
  • 2-フルオロ-4-ヒドロキシ-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-1,6,7-トリオール
  • (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-1,6,7-triol
Other name (1)：
  • 2-Fluoro-4-hydroxy-17-ethynyl-17β-estradiol
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