Synthesis of bodinieric acids A and B, both C-18 and C-19-functionalized abietane diterpenoids: DFT study of the key aldol reaction.

Ramón J Zaragozá Miguel Angel González-Cardenete

Published in: RSC advances (2020)

The first synthesis of C-18- and C-19-bifunctionalized abietane diterpenoids, bodinieric (or callicapoic) acids, via an aldol reaction has been developed. This key aldol reaction was very sensitive to steric hindrance. This fact has been studied by deuterium exchange experiments and DFT methods. Optimization of this reaction led to the synthesis of anti-inflammatory bodinieric acids A and B, starting from abietic acid.

Keyphrases

anti inflammatory
density functional theory
molecular docking
electron transfer
quantum dots
mass spectrometry
molecular dynamics
molecular dynamics simulations
molecularly imprinted