The crystal structure of 14-oxo-13,14-seco-5a-cholest-13(18)-en-3b-yl acetate and the assignment of the configuration of its acetoxy derivatives

The crystal structure of 14-oxo-13, 14-seco-5a-cholest-13(18)-en-3b-yl acetate (2), obtained (in addition to the (E)- D12-isomer 3) by oxidative fragmentation of the C(13)-C(14) bond of 14a-hydroxy-5a-cholestten-3b-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 1H-NMR parameters.