The 13C chemical shifts of nine 2-X-substituted phenetol derivatives were measured together with the 13C chemical shifts of the corresponding X-monosubstituted benzenes. Using an additivity scheme, the ethoxy cisand transortho-SCSs (substituent chemical shifts) at C-6 and C-2, respectively, were det
Dependence of 13C chemical shifts on the spatial interaction of protons, and its application in structural and conformational studies of oligo- and poly-saccharides
โ Scribed by Nikolay K. Kochetkov; Oleg S. Chizhov; Alexander S. Shashkov
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 914 KB
- Volume
- 133
- Category
- Article
- ISSN
- 0008-6215
No coin nor oath required. For personal study only.
โฆ Synopsis
Regularities in the variation of chemical shifts and the glycosidation effects in the 13C-n.m.r. spectra of disaccharides were found to depend on the configuration at the anomeric centre of the glycosidating pyranose, and the absolute configuration of both pyranoses moieties. These empirical regularities are explained in terms of the spatial proton-proton interactions within the statistically averaged, or preferred, conformation near the glycosidic linkage. The applicability of these effects for the determination of the anomeric and absolute configuration and the sequence of pyranose residues in oligo-and poly-saccharides is discussed. The conformational properties of glycosidic linkages in disaccharides and disaccharide fragments of oligo-and poly-saccharides are compared on the basis of 13C-n.m.r. data.
๐ SIMILAR VOLUMES
Aromatic I3C chemical shifts are reported for a number of ortho-substituted anisoles. Quantitative determination of the substituent chemical shift (SCS) effects of the methoxy group with a fixed coplanar conformation on aryl carbon nuclei was achieved using experimental and theoretical methods. The
We have recorded high-resolution l3C-nmr spectra of collagen fibrils in the solid state by the cross-polarization-magic-angle-spinning (CP-MAS) method and analyzed the spectra with reference to those of collagenlike polypetides. We used two kinds of model polypeptides to obtain reference 13C chemica
Ab initio IGLO (individual gauge for localized molecular orbital) methods of SCF-MO theory were used to extend studies of the conformational dependences of isotropic 13C NMR chemical shifts to n-hexane and three 1-substituted pentanes (X \ CN, OH, F). Isotropic shifts were obtained as a func-XCH 2 C
## Abstract The ^13^C chemical shifts for 1,3โdithiane and 9 methyl substituted derivatives are reported. Only three of the methylโ1,3โdithianes were conformationally anancomeric and hence the conformational equilibria must be taken into account when deriving the values of the different substituent