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# / Klaas Vos


Authors: Guido F. PauliORCID , Matthias Niemitz, Jonathan BissonORCID , Michael W. Lodewyk, Cristian Soldi, Jared T. Shaw, Dean J. Tantillo, Jordy M. Saya, Klaas Vos, Roel A. Kleinnijenhuis, Henk Hiemstra, Shao-Nong Chen, James McAlpine, David C. Lankin, J. Brent Friesen
Journal: Journal of Organic Chemistry (RoMEO status: White)
Subjects: Pharmacognosy Phytochemistry NMR FID raw data Spin simulation
The revision of the structure of the sesquiterpene aquatolide from a bicyclo[2.2.0]hexane to a bicyclo[2.1.1]hexane structure using compelling NMR data, X-ray crystallography, and the recent confirmation via full synthesis exemplify that the achievement of “structural correctness” depends on the completeness of the experimental evidence. Archived FIDs and newly acquired aquatolide spectra demonstrate that archiving and rigorous interpretation of 1D 1H NMR data may enhance the reproducibility of (bio)chemical research and curb the growing trend of structural misassignments.
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