Am. Namba et al., Dynamics of p-menthan-3,9-diols. A computational study in aqueous and chloroform solutions of two epimers, TETRAHEDRON, 56(33), 2000, pp. 6089-6097
The conformational preferences of p-menthan-3,9-diols in both aqueous and c
hloroform solutions have been investigated by molecular dynamics simulation
s. The effects of changing the stereochemistry at the C3 atom on the dynami
cs of these compounds have been studied by considering the two epimers. The
results reveal a strong dependence of conformation on both the stereochemi
stry and the environment. In some cases the formation of an intramolecular
hydrogen bond stabilises unusual conformations for the cyclohexane ring. (C
) 2000 Elsevier Science Ltd. All rights reserved.