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About: Nuclear magnetic resonance database method     Goto   Sponge   NotDistinct   Permalink

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The nuclear magnetic resonance database method enables identification of the stereochemistry of chiral molecules, especially polyols. It relies on the observation that NMR spectroscopy data depend only on the immediate environment near an asymmetric carbon, not on the entire molecular structure. All stereoisomers of a certain class of compounds are synthesized, and their proton NMR and carbon-13 NMR chemical shifts and coupling constants are compared. Yoshito Kishi's group at Harvard University has reported NMR databases for 1,3,5-triols 1,2,3-triols, 1,2,3,4-tetraols, and 1,2,3,4,5-pentaols.