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International Union of Crystallography, Acta Crystallographica Section E: Structure Reports Online, 1(68), p. o237-o237, 2011

DOI: 10.1107/s1600536811054249

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5α,6α-Ep­oxy-7-norcholestan-3β-yl acetate

Journal article published in 2011 by L. C. R. Andrade, M. J. M. de Almeida, J. A. Paixão ORCID, M. J. M. de Almeida, J. F. S. Carvalho, M. M. Cruz Silva
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The title cholestan, C28H46O3, was prepared by epoxidation of 7-norcholest-5-en-3β-yl acetate and crystallized by slow evaporation from an ethano­lic solution. All rings are trans fused. The 3β-acetate and the 17β-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.