Circular dichroism calculation for natural products

J Nat Med. 2014 Jan;68(1):1-10. doi: 10.1007/s11418-013-0768-x. Epub 2013 Apr 7.

Abstract

Determination of the absolute configuration (AC) is often a challenging aspect in the structure elucidation of natural products. When chiral compounds possess appropriate chromophore(s), electronic circular dichroism (ECD) may provide a powerful approach to the determination of their absolute configuration. Recently, ECD calculations by time-dependent density functional theory (TDDFT) have come to be used more commonly. In the present review, we give several examples of recent studies using TDDFT-calculated ECD spectra for the AC determination of natural products.

Publication types

  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Biological Products / chemistry*
  • Circular Dichroism*
  • Computer Simulation
  • Models, Molecular
  • Molecular Conformation

Substances

  • Biological Products