Issue 11, 1985

Analysis of 1H and 13C nuclear magnetic resonance spectra of spathulenol by two-dimensional methods

Abstract

Several two-dimensional n.m.r. (2D-n.m.r.) methods have been used for the structural analysis of spathulenol, a sesquiterpene alcohol from the peel oil of Citrus junos Tanaka. First, 13C resonances were classified into those due to CH, CH2, CH3, and quaternary carbon by INEPT. Next, 1H–13C shift-correlated 2D-n.m.r. was used to assign the pairs of directly bonded 1H and 13C nuclei. Finally, 1H shift-correlated 2D-n.m.r. was employed to study the network of spin couplings in the molecule. From these data, the skeletal structure of spathulenol was determined. Finally, n.O.e.-correlated 2D-n.m.r. and the n.O.e. difference method were applied to determine the three-dimensional structure of spathulenol and to achieve complete assignment of 1H and 13C resonances.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1985, 1773-1778

Analysis of 1H and 13C nuclear magnetic resonance spectra of spathulenol by two-dimensional methods

F. Inagaki and A. Abe, J. Chem. Soc., Perkin Trans. 2, 1985, 1773 DOI: 10.1039/P29850001773

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