Choosing the best pulse sequences, acquisition parameters, postacquisition processing strategies, and probes for natural product structure elucidation by NMR spectroscopy

J Nat Prod. 2002 Feb;65(2):221-44. doi: 10.1021/np010444o.

Abstract

The relative merits of different pairs of two-dimensional NMR pulse sequences (COSY-90 vs COSY-45, NOESY vs T-ROESY, HSQC vs HMQC, HMBC vs CIGAR, etc.) are compared and recommendations are made for the preferred choice of sequences for natural product structure elucidation. Similar comparisons are made between different selective 1D sequences and the corresponding 2D sequences. Many users of 2D NMR use longer than necessary relaxation delays and neglect to use forward linear prediction processing. It is shown that using shorter relaxation delays in combination with forward linear prediction allows one to get better resolved spectra in less time. The relative merits of different probes and likely future probe developments are also discussed.

Publication types

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

MeSH terms

  • Biological Factors / chemistry*
  • Diterpenes / chemistry
  • Epoxy Compounds / chemistry
  • Furans / chemistry
  • Molecular Structure
  • Nuclear Magnetic Resonance, Biomolecular / methods*
  • Sesquiterpenes / chemistry
  • Sitosterols / chemistry
  • Time Factors

Substances

  • Biological Factors
  • Diterpenes
  • Epoxy Compounds
  • Furans
  • Sesquiterpenes
  • Sitosterols
  • furfuryl glycidyl ether
  • kauradienoic acid
  • gamma-sitosterol