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Lithocholic acid

BOC Sciences

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  • Iupac: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • Smiles: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
  • Aliases: Lithocholate; 3alpha-Hydroxy-5beta-cholan-24-oic acid; 3alpha-Hydroxycholanic acid; 5beta-Cholanic acid-3alpha-ol
  • Cas Number: 434-13-9
  • Molecular Weight: 376.58
  • Molecular Formula: C24H40O3


Lithocholic acid is a toxic secondary bile acid, causes intrahepatic cholestasis, has tumor-promoting activity, its toxic effect can be protected after it activates the vitamin D receptor, PXR and FXR.