How well does NMR behave in Natural Products Structure Determination? A Survey of Natural Products published 2007 and 2008.

Results shown

The poster shows the result of a WebCocon based structure verification of some of the natural products published in the years 2007 and 2008 in the Journal of Natural Products. All molecules that were neither peptides, sugars or polymers of some type, were inspected, using the standard setup of WebCocon's structure discussion. In total 198 publications in 2007 and 208 in 2008 were taken into account, with at least one natural product verified each. About 50% of all publications had molecules verified straight forward, meaning that NMR could have unambiguously described the molecule via correlation data. For 25% of the molecules WebCocon failed, not even reproducing the starting molecule. This means that WebCocon needs improvement.

For the last 25% of the publication's molecules WebCocon produced more then one result. Sometimes the alternatives can be excluded simply by looking for some structural features; sometimes a closer inspection of the carbon chemical shifts will reduce the possible solutions to just one. But there are come cases were this is not possible. For this cases other means have to be found in order to confirm the molecule suggested.

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