Use of ^{13}C‐NMR as complementar identification tool in essential oil analysis

Article type: Research Article

Authors: Alencar, José Wilson | de Vasconcelos Silva, Maria Goretti | Machado, Maria Iracema Lacerda | Craveiro, Afrânio Aragão | de Abreu Matos, Francisco José | de Abreu Magalhães, Ruy

Affiliations: Laboratório de Produtos Naturais, Universidade Federal do Ceará, Cx. postal 12.200 60.021‐970, Fortaleza‐CE, Brasil. E‐mail: mgvsilva@ ufc.br | Departamento de Química Analítica e Fisico‐Química, Universidade Federal do Ceará, Cx. postal 12.200 60.021‐970, Fortaleza‐CE, Brasil. E‐mail: mgvsilva@ ufc.br

Abstract: A program using ^{13}C‐NMR data was developed to improve GC/MS identifications of chemical constituents in essential oils. Compiled data uses 2290 and 2370 chemical shifts of 229 monoterpenes and 158 sesquiterpenes, respectively, stored into two reference libraries. Each carbon atom was codified using rules that correlates its chemical shift with structural features of the carbon hybridization and vicinity.

Keywords: Alpinia speciosa, Zingiberaceae, [TeX:] ^{13}C‐NMR spectroscopy, monoterpenes, sesquiterpenes, essential oils

Journal: Spectroscopy, vol. 13, no. 4, pp. 265-273, 1997