Abstract
We have utilized contemporary multidimensional NMR techniques to establish stereochemical and conformational relationships in two cyano-containing furanoses. Concurrently, theoretical calculations were performed on these two compounds using computer-assisted model building (MacroModel) and molecular mechanics (MM2). From the NOE and J-coupling constraints obtained from NMR experiments coupled with the results of our theoretical calculations, refined structures for these compounds have been identified and optimized. This study further highlights the significance of combining the results of NMR investigations concurrently with computational approaches in the elucidation of molecular structure in solution.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
