Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)

organic compounds

Acta Cryst. (2013). E69, o1109-o1110    [ doi:10.1107/S1600536813016206 ]


V. Piccialli, A. Tuzi, G. Oliviero, N. Borbone and R. Centore

Abstract: The title compound, C31H48O7, a polyoxygenated steroid, was obtained by chemical oxidation of 7-de­hydro­cholesteryl acetate. The mol­ecular geometry features trans A/B and C/D junctions at the steroid core with the acetyl groups in the equatorial position and a fully extended conformation for the alkyl side chain. A chair conformation is observed for rings A and C while ring B adopts a half-chair conformation. The five-membered ring D has an envelope conformation, with the C atom bearing the methyl group at the flap. The terminal isopropyl group and one acetyl group are disordered over two sets of sites with 0.774 (8):0.226 (8) and 0.843 (7):0.157 (7) ratios, respectively. An intra­molecular S(6) O-H...O hydrogen-bonding motif involving a hy­droxy donor and acceptor is observed. In the crystal, chains of mol­ecules running along the b axis are formed via O-H...O hydrogen bonds between hy­droxy donors and carbonyl acceptors of the ordered acetyl group, giving rise to a C(14) motif. The chains are wrapped around the 21 screw axes.

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