Deoxycholic acid-13C（Cat No.:S000867） is a stable isotope-labeled form of deoxycholic acid where one or more carbon atoms are enriched with the 13C isotope, leading to the molecular formula C2313CH40O4 with 13C labeling. This compound is essential in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy for enhanced detection and precise analysis of bile acid metabolism and its interaction within biological systems. Deoxycholic acid-13C is used in pharmaceutical and medical research to study cholesterol metabolism, liver function, and the role of bile acids in digestive health and disease processes.
| Catalog Number | S000867 |
| CAS Number | 52886-37-0 |
| Molecular Formula | C2313CH40O4 |
| Purity | ≥95% |
| IUPAC Name | (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl](113C)pentanoic acid |
| InChI | InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i22+1 |
| InChIKey | KXGVEGMKQFWNSR-JJUQXLBJSA-N |
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C |
