Structure of 5 beta-pregnane-3 alpha, 6 alpha, 17 alpha-triol triacetate.

P. Grochulski*, Z. Wawrzak, Z. Gałdecki, W. L. Duax, P. D. Strong

*Corresponding author for this work

Research output: Contribution to journalArticle

Abstract

C27H40O7, M(r) = 476.61, monoclinic, P2(1), a = 17.440 (5), b = 13.267 (1), c = 12.168 (2) A, beta = 110.49 (8) degrees, V = 2637.3 (9) A3, Z = 4, Dx = 1.20 g cm-3, lambda (Cu K alpha) = 1.5418 A, mu = 7.04 cm-1, F(000) = 1032, T = 293 K, R = 0.048, wR = 0.068 for 5590 observed reflections with (Fo)2 > 2 sigma [(Fo)2]. The structure contains two crystallographically independent molecules in the asymmetric unit that have almost identical geometry. Rings A, B and C have chair conformations and the D ring assumes a half-chair conformation in both molecules. The progesterone side chain has a conformation typical for other 17 alpha-ester steroids; the C(16)--C(17)--C(20--O(20) torsion angles are -18.2 (5) and -15.0 (4) degrees for the first and the second molecule respectively.

Original languageEnglish (US)
JournalActa Crystallographica, Section C: Crystal Structure Communications
Volume48
DOIs
StatePublished - Dec 15 1992

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

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