Crystal structure of (20S)-21-[4-(2-hy­droxy­propan-2-yl)-1H-1,2,3-triazol-4-yl]-20-(4-methyl­pent­yl)-5-pregnen-3β-ol with an unknown solvate

摘要

In the title cholesterol analogue, [systematic name: (3S,8S,9S,10R,13S,14S,17R)-17-{(S)-1-[4-(2-hy­droxy­propan-2-yl)-1H-1,2,3-triazol-1-yl]-6-methyl­heptan-2-yl}-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetra­deca­hydro-1H-cyclo­penta­[a]phenanthren-3-ol] C32H53N3O2, a new chain, including an inter­mediate triazole and a tertiary hydroxyl group in the terminal position, has been added at position 20 inducing a change in its stereochemistry. In the crystal, mol­ecules are linked by O—H⋯O and O—H⋯N hydrogen bonds, forming layers lying parallel to (-201) and enclosing R44(36) ring motifs. The isopropyl group is disordered about two positions with a refined occupancy ratio of 0.763 (5):0.237 (5). A region of disordered electron density was corrected for using the SQUEEZE routine in PLATON (Spek (2015). Acta Cryst. C71, 9–18). The given chemical formula and other crystal data do not take into account the unknown solvent mol­ecule(s).