Systematic assignment of the configuration of flexible natural products by spectroscopic and computational methods: the bistramide C analysis |
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| Authors: | Zuber Gérard Goldsmith Michael-Rock Hopkins Tamara D Beratan David N Wipf Peter |
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| Affiliation: | Department of Chemistry, Duke University, Durham, North Carolina 27708, USA. |
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| Abstract: | [reaction: see text] 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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