贝母新的晶体结构测定

贝母新的晶体结构测定 THE CRYSTAL STRUCTURE OF PEIMISINE 谌了容 Chen Liaorong Luo Baosheng Wu Jizhou 1 2 first-author 罗保生 1 2 吴继洲 1 2 武汉大学分析测试中心 武汉大学分析测试中心 Analysis and Testing Center,Wuhan University Analysis and Testing Center,Wuhan University 同济医科大学药学系 同济医科大学药学系 测定了紫花鄂北贝母中贝母新（Peimisine）的晶体结构。其化学式为 C 27 H 41 NO 3 ·H 2 O,化学式量为445.64,属正交晶系,P212121空间群;晶胞参数 a=0.6952（2）,6=1.5150（2）,c=2.5359（7）nm,V=2.5326nm 3 ,Z=4,D c =1.120gcm -3 ,μ（MoK a ）=0.668cm -1 ,F（OOO）=244.晶体结构测定表明,贝母新属异甾体生物碱中白藜芦碱类（jer-vanine group）. Peimisine has been isolated from chinese herb ZI HUA E BEI BEI MU produced in north of Hubei province of China.It’s molecular weight is 427. 3511,obtained by mass spectrometric method.However,the crystal structure determination shows that it contains a molecule of H 2 O which links with pei- misine’s molecule via Van der Waals force.The crystal structure indicates that the molecular formula of peimisine is C 27 H 41 NO 3 ·H 2 O,Mr=445.64,or- thorhombic,space group P2 1 2 1 2 1 ,a=0.6592（2）,b=1.5150（2）,c=2.5359（7）nm; V=2.5326nm 3 ,Z=4,D c =1.120gcm -3 ,R=0.055 for 972 unique observed reflections. The determination reveals that there is a molecule in an asymmetric unit and that four molecules of H 2 O existing in between molecules of peimisine in the cell.Due to the existing of the O3 bridge between C16 and C21,and four CH 3 in the molecule,etc,peimisine belongs to the jervanine group O3 isosteroid alkaloid. 紫花鄂北贝母 贝母新 晶体结构 zihuaebeibeimu peimisine crystal structure O96.917 1992-02-01 2021-04-01 2