Chem
J-GLOBAL ID：200907072366447041   Nikkaji number：J528.981E

2-Methoxy-17-ethynyl-17β-estradiol

2-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： C21H26O3
Molecular formula furigana： C21-H26-O3
Molecular weight： 326.436
InChI： InChI=1S/C21H26O3/c1-4-21(23)10-8-17-15-6-5-13-11-18(22)19(24-3)12-16(13)14(15)7-9-20(17,21)2/h1,11-12,14-15,17,22-23H,5-10H2,2-3H3/t14-,15+,17-,20-,21-/m0/s1
InChI key： NRGDXTWZJCEVEB-PVHGPHFFSA-N
SMILES： COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2cc1O
Systematic name  (3)：
  • 2-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-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-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1)：
  • 2-Methoxy-17-ethynyl-17β-estradiol
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