Ursocholic acid
| Catalog Number | BL-M000477 |
| CAS Number | 2955-27-3 |
| Description | Ursocholic acid plays a role as a human urinary metabolite and a 7alpha-hydroxysteroid dehydrogenase inhibitor. |
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| IUPAC Name | (4R)-4-[(3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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 | 7-Epicholic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid; 3a,7b,12a-Trihydroxycholanate; (3α,5β,7β,12α)-3,7,12-Trihydroxycholan-24-oic Acid; Ursodeoxycholic Acid EP Impurity D |
| Molecular Weight | 408.57 |
| Molecular Formula | C24H40O5 |
| Boiling Point | 583.9ºC at 760mmHg |
| Melting Point | 118-130°C |
| Purity | >99% |
| Density | 1.184g/cm3 |
| Solubility | Soluble in DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly) |
| Appearance | White to Pale Beige Solid |
| Application | Ursodeoxycholic acid (U850000) impurity. |
| Shelf Life | 1 Year |
| Storage | Store at -20°C |
| Percent Composition | C 70.55%, H 9.87%, O 19.58% |
| Canonical SMILES | CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C |
| InChI | 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-UTLSPDKDSA-N |
※ Please be kindly noted products are not for therapeutic use. We do not sell to patients.
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