【摘要】 运用数学模型对黄酮类化合物１３Ｃ—ＮＭＲ化学位移数据进行了系统研究。结果表明，黄酮类化合物相对于未取代母体的１３Ｃ－ＮＭＲ化学位移的增量具有良好的加合和降阶性规律；加合δｃ＝（ｋ）＝Ｂ（ｋ）；降价δｃ（ｋ）＝Ｂ（ｋ）。由此计算和预测化合物１３Ｃ—ＮＭＲ化学位移，模拟未知物图谱。计算结果表明，计算值与标准图谱化学位移相差大多在２ｐｐｍ以内，最大的亦不超过５ＰＰｍ。更多还原

【Abstract】 The chemical shift data of natural flavone derivatives was systematically studied by mathematical models. The resultls indicate that the increments of carbon-13 NMR chemical shifts between flavone derivatives and their parent have better additive and degradative rules: additive δc(k)=B(k);degradative So carbon-13 NMR chemical shifts of compounds can be calculated and predicted using presented formulas.The calculated results show that the derivations between calculated values and found values are less than 2ppm,the largest less than 5ppm.更多还原