Systematic assignment of the configuration of flexible natural products by spectroscopic and computational methods: the bistramide C analysis.
[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.
Zuber, G; Goldsmith, M-R; Hopkins, TD; Beratan, DN; Wipf, P
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