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- W2789670949 abstract "In the title cholesterol analogue, [systematic name: (3 S ,8 S ,9 S ,10 R ,13 S ,14 S ,17 R )-17-{( S )-1-[4-(2-hydroxypropan-2-yl)-1 H -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-1 H -cyclopenta[ a ]phenanthren-3-ol] C 32 H 53 N 3 O 2 , 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 R 4 4 (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 . C 71 , 9–18). The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s)." @default.
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- W2789670949 date "2018-03-06" @default.
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- W2789670949 title "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" @default.
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- W2789670949 doi "https://doi.org/10.1107/s2056989018003286" @default.
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