5α,6α-Epoxy-7-norcholestan-3β-yl acetate
oleh: L. C. R. Andrade, J. A. Paixão, M. J. M. de Almeida, J. F. S. Carvalho, M. M. Cruz Silva
| Format: | Article |
|---|---|
| Diterbitkan: | International Union of Crystallography 2012-01-01 |
Deskripsi
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.