Chem
J-GLOBAL ID:200907018178455016   Nikkaji number:J1.513.743F

11α-(1-Hydroxy-3-carboxypropoxy)-17-acetylandrosta-4-ene-3-one

11α-(1-ヒドロキシ-3-カルボキシプロポキシ)-17-アセチルアンドロスタ-4-エン-3-オン
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: C25H36O6
Molecular formula furigana: C25-H36-O6
Molecular weight: 432.557
InChI: InChI=1S/C25H36O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,22-23,30H,4-11,13H2,1-3H3,(H,28,29)/t17-,18?,19-,20+,22?,23+,24-,25+/m0/s1
InChI key: JQSJZTZOAAQVRY-WIUCBCLNSA-N
SMILES: CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](C[C@]12C)OC(O)CCC(=O)O
Systematic name  (3):
  • 11α-(1-ヒドロキシ-3-カルボキシプロポキシ)-17-アセチルアンドロスタ-4-エン-3-オン
  • 4-{[(3aS,3bS,9aR,9bS,10R,11aS)-1-アセチル-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-10-イル]オキシ}-4-ヒドロキシブタン酸
  • 4-{[(3aS,3bS,9aR,9bS,10R,11aS)-1-acetyl-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-yl]oxy}-4-hydroxybutanoic acid
Other name (1):
  • 11α-(1-Hydroxy-3-carboxypropoxy)-17-acetylandrosta-4-ene-3-one
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