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Structure of a 3 alpha-(D-methylglycoside) of 7,8 beta-epoxysinogenin--a cardioactive steroid.

作者信息

Nethaji M, Pattabhi V, Gabe E J

机构信息

Department of Crystallography and Biophysics, University of Madras, India.

出版信息

Acta Crystallogr C. 1988 Jun 15;44 ( Pt 6):1066-70. doi: 10.1107/s0108270188001908.

DOI:10.1107/s0108270188001908
PMID:3271093
Abstract

C30H42O10, Mr = 562.66, orthorhombic, P2(1)2(1)2(1), a = 10.125 (1), b = 15.632 (2), c = 36.115 (4) A, V = 5716 (1) A3, Z = 8, Dm = 1.312 (2) (flotation), D chi = 1.308 g cm-3, Cu K alpha(lambda = 1.5418 A), mu = 7.18 cm-1, F(000) = 2416, T = 295 K. Final R(F) = 0.07 for 3348 significant reflections with I greater than or equal to 2.5 sigma(I). The A, B, C, D rings of the aglycone ring are found to be in cis-trans-cis fashion forming a buckled structure. The lactone is in C17 beta conformation. The molecules are stabilized by intermolecular hydrogen bonds. The longest direction of the steroid molecule is nearly parallel to the a axis. The conformational features exhibited by the molecule support proposals on activity.

摘要

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