Chem
J-GLOBAL ID：200907024389704276   Nikkaji number：J528.983A

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

2-フルオロ-4-メトキシ-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： C21H25FO3
Molecular formula furigana： C21-H25-F-O3
Molecular weight： 344.426
InChI： InChI=1S/C21H25FO3/c1-4-21(24)10-8-16-13-5-6-14-15(12(13)7-9-20(16,21)2)11-17(22)18(23)19(14)25-3/h1,11-13,16,23-24H,5-10H2,2-3H3/t12-,13+,16-,20-,21-/m0/s1
InChI key： FAXRQAMLUOBPHX-PVMQWSNJSA-N
SMILES： COc1c(O)c(F)cc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc12
Systematic name  (3)：
  • 2-フルオロ-4-メトキシ-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-6-メトキシ-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-6-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1)：
  • 2-Fluoro-4-methoxy-17-ethynyl-17β-estradiol
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