Long-range CH correlation 2D NMR spectroscopy. 4—Complete spectral assignments of the pesticide metabolite S-(2,3-dihydroxy-1-propyl)glutathione
✍ Scribed by V. V. Krishnamurthy; John E. Casida; David R. Dohn
- Publisher
- John Wiley and Sons
- Year
- 1988
- Tongue
- English
- Weight
- 438 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Complete I3C and 'H spectral peak assignments of S-(2,3-dihydroxy-l-propyl)glutathione (1) (an in vivo metabolite of the pesticide 1,2dibromo-hhloropropane) were made using various 2D NMR techniques. Long-range CH correlation 2D NMR unambiguously assigned the key methylene resonances adjacent to sulfur. Appropriate delays for optimum cross-peak intensities in the long-range correlation experiment were chosen with response intensity curves, generated using estimated long-range coupling constants. These curves, although generated assuming a first-order coupling network, are useful even in systems with strong second-order couplings as in 1.