IUPAC Name: | 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone |
Description: | (3β, 5α) -3- Hydroxy- 3- methyl- pregnan- 20- one is a useful steroid in the enantioselective synthesis of therapeutically useful GABA receptor modulator ganaxolone via regio- and stereoselective methylation. |
Molecular Weight: | 332.52 |
Molecular Formula: | C22H36O2 |
Canonical SMILES: | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)(C)O)C)C |
InChI: | InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20-,21-,22+/m0/s1 |
InChI Key: | PGTVWKLGGCQMBR-PVFHHWQTSA-N |
References: | Shaw, K., et al. From PCT Int. Appl. (2011), WO 2011019821 A2 20110217. |
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