The conformation of diribosylribitol phosphate was studied by means of NMR spectroscopy and molecular dynamics (MD). Starting from 3 J( 1 H, 1 H), 3 J( 31 P, 1 H) and 3 J( 31 P, 13 C) couplings, measured from 1 H NMR, 13 C NMR and COSY spectra, the conformations of the ribose residues and the phosph
Conformational analysis of a condensed macrocyclic β-lactam by NMR and molecular dynamics calculations
✍ Scribed by György M. Keserű; Helga Vásárhelyi; Gergely Makara
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 329 KB
- Volume
- 326
- Category
- Article
- ISSN
- 0022-2860
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Two macrocyclic polyether isomers were obtained by radical cyclization of (E)-8-iodo-3,6-dioxaoctyl-3ethoxycarbonylpropenoate and separated by liquid-solid chromatography over silica gel. They were characterized, for the Ðrst time, by two-dimensional NMR ; notably, the HMBC experiment gave access to