Peaks at aromatic area was very small either very low amount of compound and may need more time on the NMR or need enough amount from compound accurate identification very tedious in this state
MS would help a lot. A better 1H spectrum wouldn't hurt either, as well as 13C and 2D NMR
with this much information, its like being on fishing expedition, waiting for fish to come and bite. :) Search structure similarity then literature, and then discuss complete NMR data, in-case, it is new compound, or you may try to make it crystalline and get its super-structure.
I have observed in the NMR some unassigned peaks which might be part of the very intense peaks. A decoupling experiment would clarify the congestion at 5.72. My suggestions (1) check the literature for the compounds of the Solanaceae (2) match the spectrum with any of the reported compound s (3) in the absence of a match proceed to MS and C13 NMR. (4) carry out phytochemical analysis to ascertain which class of molecules you are dealing with. My feelings about the information above your extract may be a mixture of terpenoid and aromatic alkaloids.
Plenty of unanswered questions about your compound in question. (1) the physical nature of the samples (2) if a solid the M.pt (3)the class of compounds you were looking for (4)did it pass the phytochemical test
This is most likely the spectrum of a mixture of compound. The absence of aromatic sigals suggest the presence of just aliphatic carbons in the structure of the main compound. Probably could be a steroid or an alkaloid. But you cannot say anything without bidimensional NMR spectra.
First of all please check the purity by HPLC or TLC, and try to purify the compound the more you can, probably you will need more chromatografic steps, including a semipreparative HPLC (to increase the resolution and efficiency of separation). Then start with 2D-NMR analysis.
Just a reminder, based on the single 1D-NMR spectrum provided we do not know what that is, it could be anything... unless the spectrum matches a known compound that has been previously characterized by 1D-NMR. Yes, it could be a mixture, or not really if the molecule is big...
Yes, typically once you have the compound in NMR solution you want to run a bunch of 2D-NMR spectra. However, key data needed at this point is reliable MS information, followed maybe by IR, and by 2D-NMR including nOe-based experiments if necessary. Knowing the chemical background of the solanum plants could help, too.
It is most likely a mixture or a high molecular weigh compound - even at 400 MHz, NMR looks very condensed; higher field NMR might help, but I doubt.
Without the history of the material it is impossible to say much - it could be steroid derivative, oligosaccharide, polypeptide, etc. You absolutely need LC-MS data before doing any other tests and making any suggestions.
Dear All,
Thank you very much for your suggestions. As compound is chloroform soluble it means it can not be a polar compound. The MS is also not very clear. I do agree that it might be a mixture of some steroids. I need to run LC-MS.
Most importantly do the phytochemical screening to identify the class of compounds. Before going further. Your results will remove a lot of ambiguities. You are most welcomed.
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