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3,6-双-O-乙酰膜荚黄芪苷元的晶体和分子结构

Crystal and Molecular Structure of Astramembrangenin 3,6-Diacetate

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【作者】 倪朝周马益林甘立宪曹正中姚家星

【Author】 Ni Chao-Zhou~* Ma Yi-Lin Gan Li-Xian Cao Zheng-Zhoug (Shanghai Institute of Organic Chemistry, Academia Sinica, Shanghai) Yao Jia-Xing (Institute of Physics, Academia Sinica, Beijing)

【机构】 中国科学院上海有机化学研究所南京药物研究所中国科学院北京物理研究所 上海上海北京

【摘要】 3,6-双-O-乙酰膜荚黄芪苷元,C34H54O7,属单斜晶系,空间群P21,晶胞参数为α=10.902(4),b=17.048(6),c=8.938(8)A,β=107.99(3)°,V=1580(1)A3,Z=2,Dc=1.2l g·cm-3,Dm=1.18g·cm-3.结构由直接法解出,对2253个可观察衍射计算,R=0.061,Rw=0.068.结构测定表明,20-C和24-C的构型为R和S,C(16)的羟基上氢原子H(05)与C(25)的羟基上氧原子O(7)形成分子内氢键O(5)—H(05)…O(7),同时H(07)与另一个分子的羰基上氧O(2)形成分子间氢键O(7)—H(07)…O(2),通过分子间氢键,晶体中分子形成链状结构.

【Abstract】 The crystal of the title compound, C34H54O7 is monoclinic, space group P21, with a=10.902(4), b=17.048(6), c=8.938(3) A, β=107.99(3)°, V=1580(1)A3, Z=2, Dc=1.21g.cm-3, Dm=1.18g.cm-3. The structure was solved by direct methods with RANTAN program and refined to R of 0.061 (Rw=0.068) for 2253 observed reflexions The result indicates that the configuration of 20-C is R and 24-C is S, namely astramembrangenin is identical with cycloastragenol. The H(05) atom of the hydroxyl attached to C(16) and the O(7) atom of the hydroxyl on C(25) form intramolecular hydrogen bond, O(5)-H(05)-O(7), H(07) and O(2) of the carbonyl of another molecule form intermolecular hydrogen bond, which connects the moleoules in chains in the crystal.

  • 【文献出处】 化学学报 ,Acta Chimica Sinica , 编辑部邮箱 ,1986年08期
  • 【被引频次】3
  • 【下载频次】33
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