HSQC–ADEQUATE correlation: a new paradigm for establishing a molecular skeleton
Article first published online: 14 MAR 2011
Copyright © 2011 John Wiley & Sons, Ltd.
Magnetic Resonance in Chemistry
Volume 49, Issue 5, pages 248–252, May 2011
How to Cite
Martin, G. E., Hilton, B. D. and Blinov, K. A. (2011), HSQC–ADEQUATE correlation: a new paradigm for establishing a molecular skeleton. Magn. Reson. Chem., 49: 248–252. doi: 10.1002/mrc.2743
- Issue published online: 12 APR 2011
- Article first published online: 14 MAR 2011
- Manuscript Accepted: 27 JAN 2011
- Manuscript Revised: 5 JAN 2011
- Manuscript Received: 29 OCT 2010
- unsymmetrical indirect covariance;
- generalized indirect covariance;
- indirect covariance;
Various experimental methods have been developed to unequivocally identify vicinal neighbor carbon atoms. Variants of the HMBC experiment intended for this purpose have included 2J3J-HMBC and H2BC. The 1,1-ADEQUATE experiment, in contrast, was developed to accomplish the same goal but relies on the 1JCC coupling between a proton–carbon resonant pair and the adjacent neighbor carbon. Hence, 1,1-ADEQUATE can identify non-protonated adjacent neighbor carbons, whereas the 2J3J-HMBC and H2BC experiments require both neighbor carbons to be protonated to operate. Since 1,1-ADEQUATE data are normally interpreted with close reference to an HSQC spectrum of the molecule in question, we were interested in exploring the unsymmetrical indirect covariance processing of multiplicity-edited GHSQC and 1,1-ADEQUATE spectra to afford an HSQC–ADEQUATE correlation spectrum that facilitates the extraction of carbon-carbon connectivity information. The HSQC–ADEQUATE spectrum of strychnine is shown and the means by which the carbon skeleton can be conveniently traced is discussed. Copyright © 2011 John Wiley & Sons, Ltd.