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| IUPAC Name: | methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-oxo-3-trimethylsilyloxy-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| Description: | Methyl 3-Trimethylsilyloxy-7-ketolithocholate is used as a reactant in the preparation of Obeticholic Acid. |
| Molecular Weight: | 476.76 |
| Molecular Formula: | C28H48O4Si |
| Canonical SMILES: | CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O[Si](C)(C)C)C)C |
| InChI: | InChI=1S/C28H48O4Si/c1-18(8-11-25(30)31-4)21-9-10-22-26-23(13-15-28(21,22)3)27(2)14-12-20(32-33(5,6)7)16-19(27)17-24(26)29/h18-23,26H,8-17H2,1-7H3/t18-,19+,20-,21-,22+,23+,26+,27+,28-/m1/s1 |
| InChI Key: | FYICTKZKCGJHMG-HDMGBMMLSA-N |
| References: | Steiner, Andre, et al. PCT Int. Appl., WO 2017111979 A1 20170629 (2017). |
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