Chem
J-GLOBAL ID：200907061700011134   Nikkaji number：J1.712.063H

3-Oxo-23,24-dinorchola-4-ene-22-oic acid

3-オキソ-23,24-ジノルコラ-4-エン-22-酸
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： C22H32O3
Molecular formula furigana： C22-H32-O3
Molecular weight： 344.495
InChI： InChI=1S/C22H32O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h12-13,16-19H,4-11H2,1-3H3,(H,24,25)/t13-,16-,17+,18-,19-,21-,22+/m0/s1
InChI key： QETBTXOVEBTJQH-WAMTXRNCSA-N
SMILES： C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O
Systematic name  (4)：
  • (20S)-3-オキソプレグナ-4-エン-20-カルボン酸
  • 3-オキソ-23,24-ジノルコラ-4-エン-22-酸
  • (2S)-2-[(1R,3aS,3bS,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]プロパン酸
  • (2S)-2-[(1R,3aS,3bS,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]propanoic acid
Other name (2)：
  • (20S)-3-Oxopregna-4-ene-20-carboxylic acid
  • 3-Oxo-23,24-dinorchola-4-ene-22-oic acid
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