Chem
J-GLOBAL ID：200907020296581608   Nikkaji number：J17.153K

5β-Cholanic acid

5β-コラン酸
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： C24H40O2
Molecular formula furigana： C24-H40-O2
Molecular weight： 360.582
InChI： InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChI key： RPKLZQLYODPWTM-LVVAJZGHSA-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[C@]12C
Systematic name  (3)：
  • 5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bR,5aS,9aS,9bS,11aR)-9a,11a-ジメチル-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-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (6)：
  • 5β-コラン酸
  • 5β-Cholanic acid
  • 5β-Cholan-24-oic acid
  • デオキシリトコール酸
  • Deoxylithocholic acid
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CAS registry number： 546-18-9
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