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Systematic Assignment of the Configuration of Flexible Natural Products by Spectroscopic and Computational Methods:  The Bistramide C Analysis

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journal contribution
posted on 10.11.2005 by Gérard Zuber, Michael-Rock Goldsmith, Tamara D. Hopkins, David N. Beratan, Peter Wipf
The combination of NMR NOE, chemical shift, and J-coupling measurements with molar rotation and circular dichroism (CD) determinations, including RI-DFT BP86/aug-cc-pVDZ calculations, reduced a candidate pool of 1024 possible stereoisomers of (+)-bistramide C to a single absolute configuration assignment for the 10 stereogenic carbons of the marine natural product.

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