Solution conformation of longifolene and its precursor by NMR and ab initio calculations Academic Article uri icon

Overview

MeSH Major

  • Magnetic Resonance Spectroscopy
  • Sesquiterpenes

abstract

  • We describe the conformation and stereospecific 1H and 13C chemical shift assignments of longifolene 1 and its penultimate precursor 2 through the combined use of ab initio calculations and experimental NMR techniques. The predicted stable conformation for both compounds was similar and adopts a twisted chair conformation at the seven-membered ring where C4 lies on top of the exocyclic double bond. The calculated chemical shifts for the stable conformation agree well with the experimental values.

publication date

  • December 2006

Research

keywords

  • Academic Article

Identity

Language

  • eng

Digital Object Identifier (DOI)

  • 10.1002/mrc.1908

PubMed ID

  • 17001750

Additional Document Info

start page

  • 1118

end page

  • 21

volume

  • 44

number

  • 12