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Acta Cryst. (2012). E68, o237  [ doi:10.1107/S1600536811054249 ]

5[alpha],6[alpha]-Epoxy-7-norcholestan-3[beta]-yl acetate

L. C. R. Andrade, J. A. Paixão, M. J. M. de Almeida, J. F. S. Carvalho and M. M. Cruz Silva

Abstract: The title cholestan, C28H46O3, was prepared by epoxidation of 7-norcholest-5-en-3[beta]-yl acetate and crystallized by slow evaporation from an ethanolic solution. All rings are trans fused. The 3[beta]-acetate and the 17[beta]-cholestane side chain are in equatorial positions. The molecule is highly twisted due to its B-nor characteristic. A quantum chemical ab-initio Roothaan Hartree-Fock calculation of the equilibrium geometry of the isolated molecule gives values for bond lengths and valency angles in close agreement with the experimental ones.

Online 23 December 2011


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