Chem
J-GLOBAL ID:200907001489529803   Nikkaji number:J354.040E

2-Hydroxy-17α-ethynylestradiol

2-ヒドロキシ-17α-エチニルエストラジオール
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: C20H24O3
Molecular formula furigana: C20-H24-O3
Molecular weight: 312.409
InChI: InChI=1S/C20H24O3/c1-3-20(23)9-7-16-14-5-4-12-10-17(21)18(22)11-15(12)13(14)6-8-19(16,20)2/h1,10-11,13-14,16,21-23H,4-9H2,2H3/t13-,14+,16-,19-,20-/m0/s1
InChI key: KQJCDKMHNQVWDV-BKRJIHRRSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(O)cc34)[C@@H]1CC[C@@]2(O)C#C
Systematic name  (7):
  • 17α-エチニル-1,3,5(10)-エストラトリエン-2,3,17-トリオール
  • 2-ヒドロキシ-17-エチニル-17β-エストラジオール
  • (17R)-19-ノルプレグナ-1,3,5(10)-トリエン-20-イン-2,3,17-トリオール
  • 17-エチニルエストラ-1(10),2,4-トリエン-2,3,17β-トリオール
  • 2-ヒドロキシ-17α-エチニルエストラジオール
Show all
Other name (3):
  • (17R)-19-Norpregna-1,3,5(10)-trien-20-yne-2,3,17-triol
  • 17-Ethynylestra-1(10),2,4-triene-2,3,17β-triol
  • 2-Hydroxy-17α-ethynylestradiol
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