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Spectroscopy
Volume 14, Issue 4, Pages 195-201
http://dx.doi.org/10.1155/2000/784518

1H and 13C NMR assignments of dihydropipataline, the main of four long-chain 1-(3,4-methylenedioxyphenyl)-alkanes from Piper darienence D.C.

Myriam Meléndez-Rodríguez,1 Willy Rendón,2 Galia Chávez,2 Gerardo Martínez-Guajardo,3 and Pedro Joseph-Nathan1

1Departamento de Química, Centro de Investigación y de Estudios Avanzados, Instituto Politécnico Nacional, Apartado 14-740, México, D.F., 07000, Mexico
2Instituto de Investigaciones Químicas, Universidad Mayor de San Andrés, La Paz, Bolivia
3Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-Iztapalapa, Apartado 55-534, México, D.F., 09340, Mexico

Copyright © 2000 Hindawi Publishing Corporation. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Four 1-(3,4-methylenedioxyphenyl)-alkanes having linear ten, eleven, twelve and fourteen carbon atom chains, found in the roots of Piper darienence D.C., were separated by HPLC and their structures determined by mass spectrometry and NMR spectroscopy. Conventional 1D NMR methods were used for 1H chemical shifts assignment of the main compound dihydropipataline (3) [1-(3,4-methylenedioxyphenyl)‒dodecane]. The 13C NMR assignment was carried out using conventional considerations and 2D NMR techniques (HETCOR and FLOCK) in combination with spectral 13C NMR simulation and ab initio DFT-GIAO NMR calculations.