Conformational Analysis in 18-Membered Macrolactones Based on Molecular Modeling

الملخص EN

Conformational analysis of 18-ring membered macrolactones has been carried out using molecular mechanics calculations and molecular dynamics.

A high conformational flexibility of macrolactones was obtained, and an important stereoselectivity was observed for the complexed macrolides.

For 18d macrolactone, which was presented by a most favored conformer with 20.1% without complex, it was populated with 50.1% in presence of Fe(CO)3.