节点文献
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
【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