ISSN:
1572-8854
Source:
Springer Online Journal Archives 1860-2000
Topics:
Geosciences
,
Physics
Notes:
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) Å,β=94.32(1)°,V c =1151.9(3) Å3,Z=2,D x =1.21 g cm−3, $$\bar \lambda $$ (CuKα) = 1.5418 Å, 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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01185391
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