The crystal and molecular structure of the p‐iodobenzoate of 23‐demethylgorgosterol

Abstract

AbstractThe crystal and molecular structure of a cyclopropane containing marine steroid, 23‐demethylgorgosterol, and its absolute configuration have been determined on the p‐iodobenzoate derivative. The compound crystallizes in the space group P21212,1 with cell dimensions a = 14.076, b = 39.15 and c = 5.987 Å. There are four formula units (C36 H51 O2 I) per unit cell. The structure was determined and refined using 1872 counter data. The final R‐value is 7.4%. The structure determination confirms the presence of a cyclopropane ring in the side chain. An explanation is given for the two additonal highfield protons observed in the NMR spectrum.