Chem
J-GLOBAL ID:200907018166909925   Nikkaji number:J1.488.850K

17β-(Octyloxy)estra-1,3,5(10)-triene-3-ol

17β-(オクチルオキシ)エストラ-1,3,5(10)-トリエン-3-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: C26H40O2
Molecular formula furigana: C26-H40-O2
Molecular weight: 384.604
InChI: InChI=1S/C26H40O2/c1-3-4-5-6-7-8-17-28-25-14-13-24-23-11-9-19-18-20(27)10-12-21(19)22(23)15-16-26(24,25)2/h10,12,18,22-25,27H,3-9,11,13-17H2,1-2H3/t22-,23-,24+,25+,26+/m1/s1
InChI key: YWTOMIRNOSSLLM-JMTTVTNBSA-N
SMILES: CCCCCCCCO[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Systematic name  (3):
  • 17β-(オクチルオキシ)エストラ-1,3,5(10)-トリエン-3-オール
  • (1S,3aS,3bR,9bS,11aS)-11a-メチル-1-(オクチルオキシ)-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-7-オール
  • (1S,3aS,3bR,9bS,11aS)-11a-methyl-1-(octyloxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
Other name (1):
  • 17β-(Octyloxy)estra-1,3,5(10)-triene-3-ol
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