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PubMed · 1930817

Structure of 9 beta-estrone.

W L Duax·J F Griffin·P D Strong
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Abstract

3-Hydroxy-9 beta-estra-1,3,5(10)-trien-17-one, C18H22O2, Mr = 270.4, monoclinic, P2(1), a = 9.527 (2), b = 11.182 (3), c = 7.078 (1) A, beta = 108.45 (1) degrees, V = 715.3 (3) A3, Z = 2, Dx = 1.255 g cm-3, lambda (Mo K alpha) = 0.71073 A, mu = 0.746 cm-1, F(000) = 292, T = 298 K, R = 0.037 for 2128 reflections with F greater than 2.0 sigma (F). The compound was one in a series of 9 beta-estrone analogues synthesized to study their estrogenic activity. The B ring conformation is a 7 beta,8 alpha-half chair, due to the configuration at C9. The O3 hydroxy forms a hydrogen bond to O17 at a distance of 2.76 A.

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EstroneModels, MolecularMolecular ConformationMolecular StructureX-Ray DiffractionJournal ArticleResearch Support, U.S. Gov't, P.H.S.

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W L Duax, J F Griffin, P D Strong. 1991-05-15. Structure of 9 beta-estrone.. https://doi.org/10.1107/s0108270190011763

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