Application of NMR methods for the structure elucidation of a chiral bis-isochroman compound

Dátum
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Folyóirat ISSN
Kötet címe (évfolyam száma)
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Absztrakt

My aim in the thesis was to expand my knowledge about how NMR technique works and to do the NMR assignment for a potentially biological active compound, a chiral bis-isochroman. This project enabled me to see the power of NMR methods in structure elucidation. To achieve the goals, 1D 1H, J-modulated 13C and 2D COSY, ROESY, HSQC, and HMBC NMR experiments were acquired. I analyzed the measured spectra in the software Bruker TopSpin 4.1.4. As the spectra gave detailed information about how the structure atoms are connected, I could make full 1H and 13C resonance assignment of the compound, verifying its constitution. After that I could identify characteristic ROESY cross peaks between 1, 3 and 1’, 3’ protons, which clearly shows the stereochemistry within the compound as the hydrogens are in cis orientation, and thus confirms the relative configuration of the molecule.

Leírás
Kulcsszavak
NMR, Stereochemistry
Forrás