NMR Studies of the Conformation of Destruxin A in Water and in Acetonitrile

Abstract

The conformation of destruxin A in solution in H2O and in C2H3CN was determined by distance geometry calculations with inter-proton distance constraints derived from nuclear Overhauser enhancements in the rotating frame. The conformation is essentially independent of the solvent used and closely resembles that found in crystals obtained from benzene.