Chem
J-GLOBAL ID：200907097951944401   Nikkaji number：J2.202.154K

3,17β-Dimethoxy-17-ethynylestra-1,3,5(10)-triene

3,17β-ジメトキシ-17-エチニルエストラ-1,3,5(10)-トリエン
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： C22H28O2
Molecular formula furigana： C22-H28-O2
Molecular weight： 324.464
InChI： InChI=1S/C22H28O2/c1-5-22(24-4)13-11-20-19-8-6-15-14-16(23-3)7-9-17(15)18(19)10-12-21(20,22)2/h1,7,9,14,18-20H,6,8,10-13H2,2-4H3/t18-,19-,20+,21+,22+/m1/s1
InChI key： PGIAEAMVILIUFE-AANPDWTMSA-N
SMILES： COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC)C#C)[C@@H]3CCc2c1
Systematic name  (4)：
  • 3,17-ジメトキシ-17α-エチニル-1,3,5(10)-エストラトリエン
  • 3,17β-ジメトキシ-17-エチニルエストラ-1,3,5(10)-トリエン
  • (1R,3aS,3bR,9bS,11aS)-1-エチニル-1,7-ジメトキシ-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
  • (1R,3aS,3bR,9bS,11aS)-1-ethynyl-1,7-dimethoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene
Other name (2)：
  • 3,17-Dimethoxy-17α-ethynyl-1,3,5(10)-estratriene
  • 3,17β-Dimethoxy-17-ethynylestra-1,3,5(10)-triene
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