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. 2012 Dec 1;68(Pt 12):o3260-1.
doi: 10.1107/S1600536812043590. Epub 2012 Nov 3.

(25R)-16β-Acet-oxy-3β-bromo-23',26-ep-oxy-23',25-dimethyl-5α-cholest-23,23'-en-6-one dichloro-methane monosolvate

Susana Rincón  1 , Rebeca Yépez, M Eugenia Ochoa, Yliana López, Rosa Santillan, Norberto Farfán
Affiliations

(25R)-16β-Acet-oxy-3β-bromo-23',26-ep-oxy-23',25-dimethyl-5α-cholest-23,23'-en-6-one dichloro-methane monosolvate

Susana Rincón et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The crystal structure of the title compound, C31H45BrO5·CH2Cl2, prepared in six steps from diosgenin, confirmed that the configurations of the stereogenic centers, positions 20S and 25R, remain unchanged during the reaction. The six-membered A, B and C rings have chair conformations. The five-membered ring D has an envelope conformation (with the methyl-substituted C atom fused to ring C as the flap) and the six-membered dihydro-pyran ring E adopts a twist-boat conformation. In the crystal, mol-ecules are linked via C-H⋯O and C-H⋯Cl hydrogen bonds, the latter involving the dichloro-methane solvent mol-ecule, forming a three-dimensional supra-molecular network.

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Figures

Fig. 1.
Fig. 1.
A view of the molecular structure of the title compound, with the atom numbering. Displacement ellipsoids are drawn at 30% probability level.
See this image and copyright information in PMC

References

    1. Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2. pp. S1–19.
    1. Castro-Méndez, A., Sandoval-Ramírez, J. & Bernès, S. (2002). Acta Cryst. E58, o606–o608.
    1. Corey, E. J. & Suggs, J. W. (1975). Tetrahedron Lett. 16, 2647–2650.
    1. Cremer, D. & Pople, J. A. (1975). J. Am. Chem. Soc. 97, 1354–1358.
    1. Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849–854.