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Addressing the Stereochemistry of Complex Organic Molecules by Density Functional Theory-NMR: Vannusal B in Retrospective.

We have employed density functional theory (DFT) protocols to calculate the NMR properties of the vannusals, a class of natural products whose structures have been the subject of recent investigations. The originally assigned structure of vannusal B was revised after a long synthetic journey which g...

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Published in:Journal of the American Chemical Society Vol. 133; no. 15; pp. 6072 - 6078
Main Authors: Saielli, Giacomo, Nicolaou, K. C., Ortiz, Adrian, Hongjun Zhang, Bagno, Alessandro
Format: Article
Published: American Chemical Society 4/20/2011
Subjects:
Complex compounds
Organic compounds
Stereochemistry
Density functionals
Functional analysis
Nuclear magnetic resonance spectroscopy
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