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.
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.
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