NATPRO-C13 - An interactive tool for the structural elucidation of natural compounds

Abstract

This paper describes the characteristics and the improvements of the free web-based spectral database NATPRO-C13, containing 13C NMR spectra data from more than 5.000 natural compounds and related derivates. It provides tools that facilitate the structural identification of natural compounds even before their purification. This database allows for searches by chemical structure, substructure, name, family compounds, and by spectral features i.e. chemical shifts and multiplicities. These capabilities are used together with visual interactive tools, which enable the structural elucidation of known and unknown compounds by comparison of their 13C NMR data. © 2007 Springer-Verlag Berlin Heidelberg.