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用ＭＭ２ 和半经验ＡＭ１ 方法对化合物进行计算，获得化合物两种构型的原子间距离参数，依据１Ｈ ＮＭＲ 产生ＮＯＥ 效应所需条件预报分子中可能存在的ＮＯＥ．通过与实验测得的核磁共振ＮＯＥ 效应结果对比，确定化合物构型
Compounds were calculated using MM2 and semi-empirical AM1 methods to obtain the interatomic distance parameters between the two configurations of the compound, and the possible NOEs in the molecule were predicted according to the conditions required for generating the NOE effect by 1H NMR. The configuration of the compound was confirmed by comparison with the results of the experimentally measured NOE effect of the NMR