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

The title cholestan, C(28)H(46)O(3), 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 twist...

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Detalles Bibliográficos
Autores principales: Andrade, L. C. R., Paixão, J. A., de Almeida, M. J. M., Carvalho, J. F. S., Cruz Silva, M. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254568/
https://www.ncbi.nlm.nih.gov/pubmed/22259518
http://dx.doi.org/10.1107/S1600536811054249
Descripción
Sumario:The title cholestan, C(28)H(46)O(3), 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.

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