3beta-Cholic Acid-d4

3beta-Cholic acid-d4 is intended for use as an internal standard for the quantification of 3beta-cholic acid (Cay-36447) by GC- or LC-MS. 3beta-Cholic acid is a bile acid and an isomer of cholic acid (Cay-20250). It has been found in human cecum and in postprandial urine samples from patients with non-alcoholic steatohepatitis (NASH).Formal Name: (5beta)-3beta,7alpha,12alpha-trihydroxy-cholan-24-oic-2,2,4,4-d4 acid. Synonyms: 3beta-Epicholic Acid-d4. Molecular Formula: C24H36D4O5. Formula Weight: 412.6. Purity: >99% deuterated forms (d1-d4). Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml, DMSO: 30 mg/ml, Ethanol: 20 mg/ml. SMILES: O[C@H]1C([2H])([2H])C[C@@]2(C)[C@@](C[C@@H](O)[C@]3([H])[C@]2([H])C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(O)=O)([H])C1([2H])[2H]. 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/i8D2,10D2. InChi Key: BHQCQFFYRZLCQQ-OYZBQODYSA-N.