Abstract
The crystal structure of 4-thioethyl-4-cholesten-3-one, C29H48OS, has been determined by X-ray methods. The compound is orthorhombic:P212121,a=7.787(2),b=12.586(4),c=27.960(6) Å,V=2740(3) Å3,M r =444.8,Z=4,D x =1.08 Mg m−3, CuKα radiation (λ=1.5418 Å),μ=11.2 cm−1,F(000)=984. FinalR=0.073 andR w =0.057 for 1562 reflections. A comparison with other 4-substituted 4-en-3-ore steroids suggests that theA ring conformation and its relative orientation can be influenced by the thioethyl substituent. The C4 side chain is turned under the steroid skeleton. The cholesterol side chain is fully extended, with atrans, +gauche conformation of the terminal C26 and C27 methyl groups.
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Gałecki, Z., Grochulski, P., Wawrzak, Z. et al. Structure of 4-thioethyl-4-cholesten-3-one, C29H48OS. Journal of Crystallographic and Spectroscopic Research 20, 179–185 (1990). https://doi.org/10.1007/BF01160972
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DOI: https://doi.org/10.1007/BF01160972