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3?-Acet-oxy-6-hy-droxy-imino-cholestane.

ABSTRACT: Two independent mol-ecules comprise the asymmetric unit of the title cholestane derivative, C(29)H(49)NO(3) {systematic name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethyl-hex-yl]-6-hy-droxy-imino-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetra-deca-hydro-1H-cyclo-penta-[a]phenanthren-3-yl ace-tate}. The major differences between the mol-ecules relate to the relative orientations of the terminal acetyl [C-C-O-C torsion angles = -158.8?(3) and -81.7?(3)°] and alkyl groups [C-C-C-C = 168.9?(3) and 65.8?(4)°]. In the crystal, the independent mol-ecules associate via pairs of O-H?N hydrogen bonds, forming dimeric aggregates. Supra-molecular layers in the ab plane are mediated by C-H?O inter-actions.

SUBMITTER: Ketuly KA

PROVIDER: S-EPMC3100065 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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3β-Acet-oxy-6-hy-droxy-imino-cholestane.

Ketuly Kamal Aziz KA Hadi A Hamid A AH Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110305 Pt 4

Two independent mol-ecules comprise the asymmetric unit of the title cholestane derivative, C(29)H(49)NO(3) {systematic name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethyl-hex-yl]-6-hy-droxy-imino-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetra-deca-hydro-1H-cyclo-penta-[a]phenanthren-3-yl ace-tate}. The major differences between the mol-ecules relate to the relative orientations of the terminal acetyl [C-C-O-C torsion angles = -158.8 (3) and -81.7 (3)°] and alkyl groups [C-C-C-C = 1 ...[more]

PMID: 21754066

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