Synthesis and Crystal Structure of (E)-Ethyl 3-Keto-18β-glycyrrhetinate 3-Oxime

作     者：蔡超 于朝云 任宏 王西照 王建武 

作者机构：School of Chemistry and Chemical Engineering Shandong University Hebei University Health Science Center Hebei University 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2007年第26卷第9期

页      面：1013-1016页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：The project was supported by the Natural Science Foundation of Shandong Province (No. Z2004C06) National Basic Research Priority Program (2003CCA027) 

主　　题：synthesis crystal structure ethyl 18β-glycyrrhetinate oxime 

摘      要：A novel derivative of glycyrrhetinic acid, （E）-ethyl 3-keto-18β-glycyrrhetinate 3- oxime C32H49NO4 （Mr = 511.72）, was synthesized and structurally characterized by IR, 1^H NMR and single-crystal X-ray diffraction. It belongs to monoclinic, space group P21, with a = 12.4897（12）, b = 7.3190（7）, c = 15.9944（14）A, β = 94.833（2）o, V = 1456.9（2）A^3, Z = 2, Dc = 1.167 g/cm^3, μ = 0.075 mm^-1, F（000） = 560, the final R = 0.0449 and wR = 0.1122. A total of 7486 reflections were collected, of which 2785 were independent （Rint = 0.0199） and 2605 were observed with I 〉 2σ（I）. There exists an intermolecular hydrogen bond which helps to stabilize the crystal structure.