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PUBLICATIONS

Boat Conformations Analysis and Simulation of the Complex 1H NMR Spectrum of Methyl 2,6:3,4-Dianhydro Alpha-D-Altropyranoside

Published

Author(s)

B Coxon

Abstract

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.
Citation
Carbohydrate Research
Volume
329
Pub Type
Journals

Keywords

2, 6:3, 4 dianhydride, altropyranoside, boat conformations, crbon-13-proton chemical shift correlati, gradient enhanced 2D HSQC, long-range coupling constants, molecular dynamics, simulated annealing, spin-lattice relaxation times

Citation

Coxon, B. (2000), 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 April 18, 2024)

Created May 1, 2000, Updated February 17, 2017