title: Choosing the best pulse sequences, acquisition parameters, postacquisition processing strategies, and probes for natural product structure elucidation by NMR spectroscopy.
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.
authors.affiliation: Department of Chemistry, University of Toronto, Toronto, Ontario, Canada, M5S 3H6. wreynold@chem.utoronto.ca
authors.forename: William F
authors.initials: WF
authors.lastname: Reynolds
authors.forename: Raúl G
authors.initials: RG
authors.lastname: Enríquez
mesh_terms: D001685:Biological Factors / Q000737:chemistry*; D004224:Diterpenes / Q000737:chemistry; D004852:Epoxy Compounds / Q000737:chemistry; D005663:Furans / Q000737:chemistry; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D012717:Sesquiterpenes / Q000737:chemistry; D012855:Sitosterols / Q000737:chemistry; D013997:Time Factors
chemical_list: D001685:Biological Factors; D004224:Diterpenes; D004852:Epoxy Compounds; D005663:Furans; D012717:Sesquiterpenes; D012855:Sitosterols; C452221:furfuryl glycidyl ether; C452220:kauradienoic acid; C025473:gamma-sitosterol