(4R,4aS,4bS,7R,10aR)-4-羟基-4a,7-二甲基-2-(丙烷-2-基)-1,4,4a,4b,5,6,7,8,10,10a-十氢菲-1-酮
(4R,4aS,4bS,7R,10aR)-4-Hy-droxy-4a,7-dimethyl-2-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-deca-hydro-phenanthren-1-one.
作者信息
Caracelli Ignez, Zukerman-Schpector Julio, Machado André T Lousada, Brocksom Timothy J, Ferreira M Lúcia, Tiekink Edward R T
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3136. doi: 10.1107/S1600536811044540. Epub 2011 Oct 29.
In the title compound, C(19)H(28)O(2), the A ring adopts a chair conformation, and each of the B and C rings adopts a distorted half-chair conformation with the methine C atom in the CH(2)C(H)C(=O) residue, common to both rings, lying 0.6397 (19) and 0.6328 (18) Å out of the approximate plane defined by the remaining five C atoms (r.m.s. deviations = 0.0791 and 0.0901 Å for rings B and C, respectively). Helical supra-molecular chains along the a axis mediated by hy-droxy-carbonyl O-H⋯O hydrogen bonds feature in the crystal packing.
在标题化合物C(19)H(28)O(2)中，A环呈椅式构象，B环和C环均呈扭曲的半椅式构象，两个环共有的CH(2)C(H)C(=O)残基中的次甲基C原子偏离由其余五个C原子定义的近似平面0.6397 (19) Å和0.6328 (18) Å（B环和C环的均方根偏差分别为0.0791 Å和0.0901 Å）。晶体堆积中存在由羟基羰基O-H⋯O氢键介导的沿a轴的螺旋超分子链。
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