Chem
J-GLOBAL ID：200907059890467118   Nikkaji number：J39.835G

3-Oxo-5β-cholan-24-oic acid

3-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(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1
InChI key： KIQFUORWRVZTHT-OPTMKGCMSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • 3-オキソ-5β-コラン-24-酸
  • 3-オキソ-5β-コラン酸
  • (4R)-4-[(1R,3aS,3bR,5aR,9aS,9bS,11aR)-9a,11a-ジメチル-7-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,5aR,9aS,9bS,11aR)-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (10)：
  • デヒドロリトコール酸
  • Dehydrolithocholic acid
  • 3-Oxo-5β-cholan-24-oic acid
  • 3-ケトコラン酸
  • 3-Keto Cholanic acid
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CAS registry number： 1553-56-6
KEGG COMPOUND： C03070
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