Abstract
The crystal and molecular structure of 3α,12β-dihydroxy-2β-morpholino-5α-pregnan-20-one, C25H41O4N, has been determined:M r =419.6,P21,a=13.5778(8),b=14.4340(8),c=5.8943(5) A,β=94.32(1)°,V c =1151.9(3) A3,Z=2,D x =1.21 g cm−3,\(\bar \lambda \)(CuKα) = 1.5418 A, μ=5.6 cm−1,F(000)=460,R=0.039,R w =0.040 for 2421 unique observed reflections. All six-membered rings have chair conformations, and theD ring has a 13β-envelope conformation. The progesterone side chain has an unusual conformation, and the C16-C17-C20-O20 torsion angle, which defines the conformation, is −152.6(3)°. The unusual conformation seems to be forced by the intramolecular hydrogen bond between the hydroxyl group at C12 and the O20 atom from the side-chain.
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