Deconvolution of complex NMR spectra in small molecules by multi frequency homonuclear decoupling (MDEC).
A new technique to deconvolute complex (1)H NMR spectra of small molecules has been developed that utilizes shape selective pulses to simultaneously decouple multiple protons. A limitation in the assignment of the relative configuration of small molecules is the ability to accurately obtain coupling constants. Other methods such as the E.COSY and the 2D J-resolved are available to obtain complicated coupling constants; the multiple homonuclear decoupling method (MDEC) described is a rapid and simple technique. Three examples of increasing spectral complexity, menthol, cholesteryl acetate and a C(16) fatty acid, demonstrate the utility of the technique. Increasing the experimental utility, the single pulse MDEC experiment can be incorporated in other 1D experiments, such as a 1D-TOCSY to solve specific problems.
Department of Biochemistry, University of Texas Southwestern Medical Center at Dallas, Dallas, Texas 75390-9038, USA.
Ana Paula D M
AP
Espindola
Ronald
R
Crouch
John R
JR
DeBergh
Joseph M
JM
Ready
John B
JB
MacMillan
D002788:Cholesterol Esters / Q000737:chemistry; D005227:Fatty Acids / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy / Q000295:instrumentation / Q000379:methods*; D008610:Menthol / Q000737:chemistry; D008722:Methods; D011522:Protons
D002788:Cholesterol Esters; D005227:Fatty Acids; D011522:Protons; D008610:Menthol; C060123:cholesterol acetate