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The University of Arizona
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Chemistry
Department
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Natural
Products Database
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About the Database |
| Scientists dealing with natural products waste much time characterizing known natural products. This database aims to save most of that time. It also makes easier the characterization of new natural products which (like most) are variants on known ones. |
| The database is based on proton NMR spectra. Up to nine of the most obvious proton chemical shifts are listed, especially those due to methyl groups but including those of other groups whose chemical shifts are evident. Coupling constant information is not needed and not used. Rarely would nine shifts be needed to define a compound; about four would suffice for many compounds. |
| NMR shifts vary considerably with solvent. We have included the most common solvents, with most being in deuterochloroform. We have not included any spectra in mixed solvents, as the shifts would be very difficult to reproduce. Also, OH and NH peaks are not used since their positions vary too much from spectrum to spectrum to work well with our +/- 0.02 ppm range. |
| The use of the database with new compounds can be illustrated by an example: you can find what kinds of terminal methylene protons absorb at 4.54 and 4.86 by searching on these numbers. |
| Other features are that the database is searchable by name, molecular weight, or molecular formula, and that one literature reference is given for each compound. |
| We are entering natural products as quickly as we can, with the goal of getting as many as possible. If you would like to help, we would be delighted to receive lists of names, molwts, molforms, shifts, and references for us to add. |