3β-乙酰氧基-6-羟基亚氨基胆甾烷。
3β-Acet-oxy-6-hy-droxy-imino-cholestane.
作者信息
Ketuly Kamal Aziz, Hadi A Hamid A, Ng Seik Weng, Tiekink Edward R T
机构信息
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o773-4. doi: 10.1107/S1600536811007306. Epub 2011 Mar 5.
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.
两个独立的分子构成了标题胆甾烷衍生物C(29)H(49)NO(3) {系统名称：(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-二甲基己基]-6-羟基亚氨基-10,13-二甲基-2,3,4,7,8,9,10,11,12,13,14,15,16,17-十四氢-1H-环戊并[a]菲-3-基乙酸酯}的不对称单元。分子之间的主要差异涉及末端乙酰基[C-C-O-C扭转角 = -158.8 (3) 和 -81.7 (3)°]和烷基[C-C-C-C = 168.9 (3) 和 65.8 (4)°]的相对取向。在晶体中，独立的分子通过O-H⋯N氢键对缔合，形成二聚体聚集体。ab平面中的超分子层由C-H⋯O相互作用介导。
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