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Computer-aided systematic structure elucidation of proton-poor compounds.
Results shown
The structure elucidation of proton-poor compounds remains a challenge. Many marine natural products have protns replaced by halogens, and therefore the number of signals in spectra is drastically reduced. Although new experiments like the n,n-ADEQUATE are available, trying to use the existing protons as much as possible, the challenge remains. The structure elucidation program "CoCon" allows the use of all currently available NMR correlation data for the building of constitutional proposals. These can then be judged by different methods, e.a. carbon chemical shift calculation.
Results of the application of CoCon for the structure elucidation of Oroidin, Manzacidin and Lamellarin H are shown.
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