Boat Conformations Analysis and Simulation of the Complex 1H NMR Spectrum of Methyl 2,6:3,4-Dianhydro Alpha-D-Altropyranoside
The complex 1H NMR spectrum of methyl 2,6:3,4-dianhydro-α-D-altropyranoside (1) has been analyzed and simulated in detail by using input parameters derived from experimental 1H chemical shifts, long- and short-range coupling constants, spin-lattice relaxation times, and effective, spin-spin relaxation times obtained by trial and error matching of the experimental and simulated spectra. The 13C spin-lattice relaxation times of 1 have also been measured, and along with the 1H-1H long- and short-range coupling constants, have been interpreted in terms of a geometry of 1 defined by molecular dynamics with simulated annealing.
Boat Conformations Analysis and Simulation of the Complex <sup>1</sup>H NMR Spectrum of Methyl 2,6:3,4-Dianhydro Alpha-D-Altropyranoside, Carbohydrate Research
(Accessed June 7, 2023)