COMPLETE ASSIGNMENTS OF THE 1H, 13C AND 15N SPECTRA FOR (±)-MONASTROL BY 1D AND 2D HR NMR TECHNIQUES

Abstract

The current communication reports on the use of Nuclear Magnetic Resonance (NMR) Spectroscopy for full NMR characterization of monastrol, a well-explored synthetic molecule that has demonstrated significant biological effects of suppressing the motility of the mitotic motor protein kinesin Eg5. Our work has been aimed at complete NMR characterization of the title compound, since no available data in the literature were found, presenting the full assignment of 1H, 13C and 15N nuclei in its structure. The combination of 1D and 2D HETCOR 1H-13C and 1H-15N NMR experiments spectra were employed to provide an unambiguous set of assignments. NMR characteristics for the nitrogen nuclei of N,N’-disubstituted thiourea fragment are presented for the first time.