Complete H-1 Nmr Assignment Of Cedranolides
MAGNETIC RESONANCE IN CHEMISTRY（2017）
Abstract
Complete and unambiguous H-1 NMR chemical shift assignment of alpha-cedrene (2) and cedrol (9), as well as for alpha-pipitzol (1), isocedrol (10), and the six related compounds 3-8 has been established by iterative full spin analysis using the PERCH NMR software (PERCH Solutions Ltd., Kuopio, Finland). The total sets of coupling constants are described and correlated with the conformational equilibria of the five-membered ring of 1-10, which were calculated using the complete basis set method. Copyright (c) 2015 John Wiley & Sons, Ltd.
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Key words
cedrane derivatives, iterative H-1 NMR analysis, PERCH spin-spin simulation, conformational behavior, H-1-H-1 coupling constants, CBS-4M method
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