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5α,6α-Ep-oxy-7-norcholestan-3β-yl Acetate

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

Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o237.

PMID: 22259518

Abstract:

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 ethano-lic solution. All rings are trans fused. The 3β-acetate and the 17β-cholestane side chain are in equatorial positions. The mol-ecule 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 mol-ecule gives values for bond lengths and valency angles in close agreement with the experimental ones.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
AS212537 6α/β-Hydroxyoxymorphone solution 6α/β-Hydroxyoxymorphone solution Price
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