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1 H and 13 C NMR Shifts for Aldopyranose and Aldofuranose Monosaccharides: Conformational Analysis and Solvent Dependence
Author(s) -
Hobley Paul,
Howarth Oliver,
Ibbett Roger N.
Publication year - 1996
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/(sici)1097-458x(199610)34:10<755::aid-omr950>3.0.co;2-u
Subject(s) - chemistry , monosaccharide , chemical shift , steric effects , solvent , carbon 13 nmr , solvent effects , computational chemistry , organic chemistry
Ring 1 H and 13 C NMR chemical shifts for 14 aldopyranoses were measured in D 2 O and dimethyl‐ d 6 sulphoxide; those for eight aldofuranose monosaccharides were measured in dimethyl‐ d 6 sulphoxide. The effects of solvent are small. Shifts can be predicted with reasonable accuracy using algorithms having a minimum number of steric parameters, varying from one for aldofuranose 13 C shifts to eight for aldopyranose 13 C shifts.