Chem
J-GLOBAL ID：200907062692630527   Nikkaji number：J2.414.936F

3-Oxoandrosta-4-ene-17β-ol 2-pyridinecarboxylate

3-オキソアンドロスタ-4-エン-17β-オール2-ピリジンカルボキシラート
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： C25H31NO3
Molecular formula furigana： C25-H31-N-O3
Molecular weight： 393.527
InChI： InChI=1S/C25H31NO3/c1-24-12-10-17(27)15-16(24)6-7-18-19-8-9-22(25(19,2)13-11-20(18)24)29-23(28)21-5-3-4-14-26-21/h3-5,14-15,18-20,22H,6-13H2,1-2H3/t18-,19-,20-,22-,24-,25-/m0/s1
InChI key： MPCKGNKVVHKJEH-PDGSOOAJSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c1ccccn1
Systematic name  (3)：
  • 3-オキソアンドロスタ-4-エン-17β-オール2-ピリジンカルボキシラート
  • (1S,3aS,3bR,9aR,9bS,11aS)-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-1-イル ピリジン-2-カルボキシラート
  • (1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl pyridine-2-carboxylate
Other name (1)：
  • 3-Oxoandrosta-4-ene-17β-ol 2-pyridinecarboxylate
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