The First Casbane Hydroperoxides EBC-304 and EBC-320 from the Australian Rainforest.

Lidiya A MaslovskayaAndrei I SavchenkoVictoria A GordonPaul W ReddellCarly J PiercePeter G ParsonsCraig M Williams

Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2016)

Investigation of the Australian rainforest plant Croton insularis led to isolation of the first casbane hydroperoxide diterpenes EBC-304 and EBC-320. Extensive DFT and electronic circular dichroism (ECD) calculations in combination with 2D NMR spectroscopy determined the absolute configurations. EBC-304 and EBC-320 both display significant cytotoxicity.

Keyphrases

density functional theory
molecular dynamics
molecular dynamics simulations
molecular docking