I isolated some compounds from plant bark extract. I took NMR, IR, Mass, everything. I am able to analyse the spectras also. But I don't know on what basis we need to arrange the molecules to get a full structure of compounds.
I'd start with the literature. Find the plant genus, species, and even the family and look up compounds already found in those groups.. My experience is that the compound has already been discovered, or is related to a compound that has already been found.
As you already isolated the compounds, you should already know something about the functional groups- acid, basic, etc. Do you need need to make an aqueous solution acidic to dissolve the compound? If so, it is basic. Look at the UV-visible and IR spectra and see what functional groups are suggested. COSY , 13C and INADEQUATE NMR also help to link the parts of the molecule together. You may need to hydrolyze the compound and determine the structure of those parts.
It is a puzzle and it takes patience to solve.
NMR is best tool for structure elucidation of natural products compounds you will see your nmr spectra which type of proton and no of proton after that u see nmr value for particular proton and which type splitting pattern and coupling constant vale those particular proton then u see your proton come which region such as aromatic region and carbonyl proton region etc .
Starting from first take UV-VIS spectra it will some idea or class of compound. Then go for UPLC-MS-MS or MALDI-TOF-MS, it will give some idea of molecular weight. Then go for NMR-ID followed by 2D NMR. IR give you ideas of functional groups. Then put all spectra on one table and study critically.Go through literature. You will definetly reach your desired goal.
Gudluck
:)
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