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| IUPAC Name: | (3R,5S,7S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol |
| Description: | (3α,5β,7β)-Cholane-3,7,24-triol (Ursodeoxycholic Acid EP Impurity I) is used in the preparation of Ursodeoxycholic Acid (U850000) scaffold. Ursodeoxycholic Acid scaffold is used to generate novel and selective steroidal ligands for GP-BAR1, a promising pharmacology target for the treatment of steatohepatitis, type 2 diabetes, and obesity. |
| Molecular Weight: | 378.59 |
| Molecular Formula: | C24H42O3 |
| Canonical SMILES: | CC(CCCO)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
| InChI: | InChI=1S/C24H42O3/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h15-22,25-27H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21+,22+,23+,24-/m1/s1 |
| InChI Key: | NGALQDLKWWSXMK-ULQOMZCQSA-N |
| Melting Point: | >80°C (dec.) |
| Solubility: | Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| References: | Sepe, V., et. al. Sepe, V., et. al. J. Med. Chem., 57, 7687 (2014). |
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