7-α甲基-17-乙炔基-β-羟基雌甾-5-( 10 )-烯-3酮重排反应的NMR研究(英文)  

NMR STUDY ON THE REACTION OF REARRANGEMENT OF 17β-HYDROXY-7α-METHYL-19-NOR-17-α-PREGN-5(10)-EN-20YN-3-ONE

作　　者：顼昊[1] 刘雪辉[2] 崔育新[2] 赵敏 沈家祥 

机构地区：[1]北京大学化学与分子工程学院,北京100871 [2]北京医科大学天然药物及仿生药物国家重点实验室,医药卫生分析中心,北京100083 [3]北京集才药物研究所,北京100083

出　　处：《波谱学杂志》2000年第1期17-22,共6页Chinese Journal of Magnetic Resonance

摘　　要：甾体药物 (LIVIAL) 1在微酸性条件下发生重排反应得另一化合物 2 .对化合物 1 ,2应用NMR梯度场反相实验 (GCOSY ,GNOESY ,GHMQC和GHMBC)进行深入的NMR研究 ,归属了化合物 1 ,2的1H ,13 CNMR的化学位移 .讨论了它们的立体化学及反应历程 ,并对其进行了计算机分子模拟 .When being put into CDCl\-3 (slightly acidic condition), the double bond of steroid drug (LIVIAL) will rearrange 24 hours. This paper shows that the 2D NMR techniques were successfully performed to determine the structures of compound 1 and compound 2. All of the \{\}\+1H and \{\}\+\{13\}C NNR chemical shifts were assigned by 1D and 2D NMR. Their stereochemistry was discussed, too. The structures of compound 1 and compound 2 were simulated by computer molecular modeling. Their results agree with those of 2D NMR.

关 键 词：LIVIAL 药物 立体化学 甾体 重排反应 核磁共振 

分 类 号：O629.23[理学—有机化学] R977.12[理学—化学]