Chem
J-GLOBAL ID:200907025188948025   Nikkaji number:J1.794.091K

12-Oxo-5β-cholane-24-oic acid

12-オキソ-5β-コラン-24-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: C24H38O3
Molecular formula furigana: C24-H38-O3
Molecular weight: 374.565
InChI: InChI=1S/C24H38O3/c1-15(7-12-22(26)27)18-10-11-19-17-9-8-16-6-4-5-13-23(16,2)20(17)14-21(25)24(18,19)3/h15-20H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18-,19+,20+,23+,24-/m1/s1
InChI key: RVGVSOKFBAOUCH-LDTZHDHYSA-N
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C
Systematic name  (3):
  • 12-オキソ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bR,5aS,9aS,9bS,11aR)-9a,11a-ジメチル-11-オキソ-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]ペンタン酸
  • (4R)-4-[(1R,3aS,3bR,5aS,9aS,9bS,11aR)-9a,11a-dimethyl-11-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (1):
  • 12-Oxo-5β-cholane-24-oic acid
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