【摘要】 2,3∶4,5-双-O-（1-甲基亚乙基）-β-D-吡喃果糖又称为果糖二丙酮（diacetonefructose）,是一类重要的药物合成中间体,它是抗癫痫药物托吡酯中的母体部分,在药物合成中具有重要的作用.果糖二丙酮结构中含有手性碳原子,核磁共振（NMR）谱图较为复杂,本文首先应用¹H NMR、¹³C NMR、DEPT135、¹H-¹³C HMBC、¹H-¹³C HSQC、¹H-¹H COSY和NOESY实验对果糖二丙酮的¹H和¹³C NMR信号进行了指认归属,确定了其空间构型.然后,利用计算化学的方法对其结构进行了模拟,进一步佐证了该构型的正确性.更多还原

【Abstract】 2,3∶4,5-bis-O-（1-methyl ethylidene）-β-D-fructopyranose is also called diacetonefructose, which is an important intermediate for drug synthesis, and contains chiral carbon atoms. In this study, one-dimensional(i.e., ¹H NMR, ¹³C NMR and DEPT135) and two-dimensional(i.e., ¹H-¹³C HMBC, ¹H-¹³C HSQC, ¹H-¹H COSY and NOESY) NMR methods were used to elucidate the structure of this compound. The ¹H and ¹³C NMR chemical shifts of the compound were assigned. Theoretical calculation was used to confirm the correctness of the stereochemistry configuration deduced from the NMR data.更多还原