Crystal and molecular structure of (23R)-23-hydroxy-3α,5α-cycloergost-7-en-6-one
- 1 January 1973
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 6,p. 781-786
- https://doi.org/10.1039/p29730000781
Abstract
The title compound (III) crystallises in the monoclinic space group P21, with cell dimensions a= 8·048, b= 20·122, c= 7·641 Å, β= 93·92°, and Z= 2. The structure has been solved by direct methods, and refined to R 0·0845 for 1777 significant reflections, measured on a diffractometer. The configuration at C(23) is R, thus confirming the previous assignment. The conformation of the steroid nucleus is of some interest; whereas the BC and CD ring junctions are trans, AB is cis due to the C(3)–C(4)–C(5) cyclopropane ring. Rings A and B, and to a small extent, C, are subject to steric strains due to both the bicyclo[3.1.0]hexane ring A and the enone group in ring B. This is reflected in abnormal values for some bond lengths, angles, and dihedral angles.Keywords
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