Structure of 11α-hydroxy-progesterone, C21H30O3

Abstract

The structure of the title compound, C21H30O3, was determined by X-rays.Mr=330.5, orthorhombic,P212121,a=8.4451(9),b=10.7074(8),c=20.1525(40) A,V=1822(8) A3,Z=4,Dx=1.205 mg m−3. CuKα radiation (1.54184 A),μ(CuKα)=5.85 cm−1,F(000)=720. FinalR=0.054Rw=0.049 for 1774 unique reflections. The structure was solved usingMultan. TheA ring adopts an intermediate sofa-half-chair conformation and is bent toward theα face of the steroid skeleton. RingsB andC have typical chair conformations, and theD ring has a slightly distorted half-chair conformation. The progesterone side chain has a typical conformation, and the C16-C17-C20-O20 torsion angle is −17.9°. An intermolecular hydrogen bond is formed between the hydroxyl group and the progesterone side chain.