REGRAS: an auxiliary program for pattern recognition and substructure elucidation of monoterpenes | Zendy

Marcelo J. P. Ferreira | Zendy; Gilberto V. Rodrigues | Zendy; Antônio J. C. Brant | Zendy; Vicente P. Emerenciano | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

REGRAS: an auxiliary program for pattern recognition and substructure elucidation of monoterpenes

Author(s) -

Marcelo J. P. Ferreira,

Gilberto V. Rodrigues,

Antônio J. C. Brant,

Vicente P. Emerenciano

Publication year - 2000

Publication title -

journal of spectroscopy

Language(s) - English

Resource type - Journals

eISSN - 2314-4920

pISSN - 2314-4939

DOI - 10.1155/2001/679106

Subject(s) - substructure , skeleton (computer programming) , chemistry , computer science , stereochemistry , programming language , engineering , structural engineering

The main purpose of this paper is to present a procedure that utilizes 13 C NMR for pattern recognition and substruc- ture elucidation of monoterpenes. By this reason, a novel version of the REGRAS program was developed for the specialist SISTEMAT system. This program carries out an analysis of the 13 C NMR data from a given compound and, from characteristic chemical shift ranges, recognizes the substructures and the skeleton present in a compound. At the end of this procedure, the program displays as analysis results the likely skeletons and substructures of the substance in question. The REGRAS program was tested on skeleton elucidation of 30 monoterpenes from the most varied skeleton types, exhibiting excellent results in skeleton and substructure prediction processes.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research