The Correct Structure of Aquatolide-Experimental Validation of a Theoretically-Predicted Structural Revision

Lodewyk MW; Soldi C; Jones PB; Olmstead MM; Rita J; Shaw JT; Tantillo DJ

Journal of the American Chemical Society, Vol.134, No.45, 18550-18553, 2012

Lodewyk MW, Soldi C, Jones PB, Olmstead MM, Rita J, Shaw JT, Tantillo DJ

Aquatolide has been reisolated from its natural source, and its structure has been revised on the basis of quantum chemical NMR calculations, extensive experimental NMR analysis, and crystallography.