Molecular mechanics calculations on lactones; an interpretation of the preferential C(8) relactonization of germacranolides containing C(6) and C(8) lactonizable α-oxygen functions
Abstract
Molecular mechanics calculations reproduce the free energy differences between pairs of substituted γ-butyrolactones and allow an interpretation of the observation that germacranolides containing lactonizable α-oriented oxygen functions at C(6) and C(8) preferentially relactonize at C(8).