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癸酸胆固醇酯的晶体结构。

Crystal structure of cholesteryl decanoate.

作者信息

Pattabhi V, Craven B M

出版信息

J Lipid Res. 1979 Aug;20(6):753-9.

PMID:490051
Abstract

Cholesteryl decanoate (C37H64O2) is monoclinic, space group P2I, with cell dimensions a = 12.931 (6), b = 9.066 (2), c = 30.22 (1) A, beta = 91.14 (4) degrees, and Z = 4. The atomic coordinates from cholesteryl laurate were used in an initial trial structure which was refined by block diagonal least-squares methods with 1846 observed X-ray reflections (R = 0.129). Molecules A and B have almost fully extended conformations, except at the ester bonds and towards the end of the decanoate B chain. The molecules are arranged in antiparallel array forming monolayers of thickness d001 = 30.22 A, with the molecular long axis making an angle of about 67 degrees with the layer interface. The crystal structure is very similar to that of cholesteryl nonanoate and cholesteryl laurate.

摘要

癸酸胆甾醇酯(C37H64O2)为单斜晶系,空间群P2I,晶胞参数a = 12.931(6),b = 9.066(2),c = 30.22(1)Å,β = 91.14(4)°,Z = 4。初始试验结构采用月桂酸胆甾醇酯的原子坐标,通过块对角最小二乘法对1846个观测到的X射线反射进行精修(R = 0.129)。分子A和B几乎具有完全伸展的构象,除了酯键处以及癸酸酯B链末端。分子以反平行排列形成厚度d001 = 30.22 Å的单分子层,分子长轴与层界面成约67度角。该晶体结构与壬酸胆甾醇酯和月桂酸胆甾醇酯的晶体结构非常相似。

相似文献

1
Crystal structure of cholesteryl decanoate.癸酸胆固醇酯的晶体结构。
J Lipid Res. 1979 Aug;20(6):753-9.
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引用本文的文献

1
Conformational analysis of sterols: comparison of X-ray crystallographic observations with data from other sources.甾醇的构象分析:X射线晶体学观测结果与其他来源数据的比较。
Lipids. 1980 Sep;15(9):783-92. doi: 10.1007/BF02534032.
2
Molecular interactions in binary solids: crystal structure of a cholesteryl ester solid solution.二元固体中的分子相互作用:胆甾醇酯固溶体的晶体结构
Proc Natl Acad Sci U S A. 1992 Mar 1;89(5):1822-6. doi: 10.1073/pnas.89.5.1822.