𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Stereochemical and conformational studies on pharmaceutical compounds by NMR and molecular modelling

✍ Scribed by Gary J. Sharman; Ian C. Jones

Book ID
102527967
Publisher
John Wiley and Sons
Year
2001
Tongue
English
Weight
204 KB
Volume
39
Category
Article
ISSN
0749-1581

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

NMR and molecular modelling were used to determine the stereochemistry of two pairs of pharmaceutical compounds. In both cases, an unexpected conformation complicated the analysis of one isomer, but the insight provided by molecular modelling allowed the NMR data to be interpreted and the identity proved. This study highlights the difficulty of predicting conformation, even for what might be expected to be straightforward systems. Copyright Β© 2001 John Wiley & Sons, Ltd.

πŸ“œ SIMILAR VOLUMES

Conformational studies on indole alkaloi
Conformational studies on indole alkaloids from Flustra foliacea by NMR and molecular modeling
✍ Martha S. Morales-RΓ­os; Norma F. Santos-SΓ‘nchez; Oscar R. SuΓ‘rez-Castillo; Pedro πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 121 KB

## Abstract ^1^H and ^13^C NMR assignments for 1a–4a and 1b–4b were obtained using HSQC, HMBC and NOESY techniques. Differences and ambiguities from literature assignments are reconciled. For the pyrrolidine C‐ring, the combined use of NMR spectroscopy and molecular mechanics calculations revealed

Structural and conformational study of m
Structural and conformational study of macrocyclic polyethers by NMR spectroscopy and molecular modeling
✍ A. Philippon; M. Laguerre; M. Petraud; I. Pianet πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 287 KB πŸ‘ 2 views

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