Allocholic Acid

Allocholic acid is a bile acid and an isomer of cholic acid (Cay-20250). It is typically produced in the fetal or larval stages of development but has been found in adult mammals in the context of cancer or during liver regeneration in rats. Allocholic acid is a precursor to petromyzonol (Cay-98250), a bile acid of larval sea lamprey that acts as a migratory pheromone. The levels of allocholic acid are elevated in the plasma of mdr2-/- mice, a model of bile duct inflammation leading to hepatocellular carcinoma.Formal Name: (3alpha,5alpha,7alpha,12alpha)-3,7,12-trihydroxy-cholan-24-oic acid. CAS Number: 2464-18-8. Synonyms: ACA, AlloCA, allo-Cholic Acid, 5alpha-Allocholic Acid. Molecular Formula: C24H40O5. Formula Weight: 408.6. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMF: 30 mg/ml, DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml, DMSO: 20 mg/ml, Ethanol: 20 mg/ml. SMILES: C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@@]21C. InChi Code: InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1. InChi Key: BHQCQFFYRZLCQQ-PGHAKIONSA-N.