The crystal structure of 14-0x0-13,14-seco-5α-cholest-13(18)-en-3β-yl acetate and the assignment of the configuration of its acetoxy derivatives

Abstract

The crystal structure of 14-oxo-13,14-seco-5α-cholest-13(18)-en-3β-yl acetate (2), obtained (in addition to the (E)-Δl2-isomer 3) by oxidative fragmentation of the C(13)-C(14) bond of 14α-hydroxy-5α-cholestan-3β-yl acetate (1), was determined by X-ray analysis. In addition, the configurations of the acetoxy derivatives 4-6, formed by the thermal lead tetraacetate oxidation of 1, were deduced from the relevant 1Н-NMR parameters.

Keywords

• x-ray analysis
• 14-oxo-13,14-seco-5α-cholest-13(18)-en-3β-yl acetate
• acetoxy derivatives of
• 1h-nmr