Isodeoxycholic acid
| Catalog Number | BL-M000475 |
| CAS Number | 566-17-6 |
| Description | Isodeoxycholic acid is a bile acid that is formed via epimerization of deoxycholic acid by intestinal bacteria. Isodeoxycholic Acid is used for comprehensive bile acid profiling in hereditary intrahepatic cholestasis. |
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| IUPAC Name | (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-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]pentanoic acid |
| Synonyms | (5β,7α,12α)-7,12-dihydroxy-cholan-24-oic acid; 5β-Cholan-24-oic acid, 7α,12α-dihydroxy; 3-deoxycholic acid; 7α,12α-Dihydroxy-5β-cholan-24-oic Acid |
| Molecular Weight | 392.57 |
| Molecular Formula | C24H40O4 |
| Boiling Point | 547.1°C at 760 mmHg |
| Purity | 95% |
| Density | 1.128 g/cm3 |
| Appearance | White to Off-white Solid |
| Shelf Life | 1 Year |
| Storage | Store at -20°C |
| Percent Composition | C 73.43%, H 10.27%, O 16.30% |
| Canonical SMILES | CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCCC4)C)O)O)C |
| InChI | InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
| InChI Key | ZHCAAZIHTDCFJX-QLEQUTGBSA-N |
※ Please be kindly noted products are not for therapeutic use. We do not sell to patients.
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