Chem
J-GLOBAL ID:200907050913345204   Nikkaji number:J1.488.851I

3-Butoxyestra-1,3,5(10)-triene-17β-ol

3-ブトキシエストラ-1,3,5(10)-トリエン-17β-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: C22H32O2
Molecular formula furigana: C22-H32-O2
Molecular weight: 328.496
InChI: InChI=1S/C22H32O2/c1-3-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23/h6,8,14,18-21,23H,3-5,7,9-13H2,1-2H3/t18-,19-,20+,21+,22+/m1/s1
InChI key: INZNVOBAJDJHSD-AANPDWTMSA-N
SMILES: CCCCOc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1
Systematic name  (3):
  • 3-ブトキシエストラ-1,3,5(10)-トリエン-17β-オール
  • (1S,3aS,3bR,9bS,11aS)-7-ブトキシ-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-オール
  • (1S,3aS,3bR,9bS,11aS)-7-butoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol
Other name (1):
  • 3-Butoxyestra-1,3,5(10)-triene-17β-ol
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