Automatic identification by 13C NMR of substituent groups bonded in natural product skeletons.
作者： Marcelo J.P Ferreira , Francimeiry C Oliveira , Sandra A.V Alvarenga , Patrı́cia A.T Macari , Gilberto V Rodrigues
DOI: 10.1016/S0097-8485(02)00029-3
关键词: Substituent 、 Organic chemistry 、 Carbon skeleton 、 Chemistry 、 Carbon-13 NMR 、 Identification (biology) 、 Natural product
摘要: Abstract The aim of this paper is to present a procedure that utilizes 13 C NMR for identification substituent groups which are bonded carbon skeletons natural products. For so much was developed new version the program macrono , presents database with 161 types found in most varied terpenoids. This widely tested substituents 60 compounds that, after removal signals did not belong skeleton, served test prediction by using other programs expert system SISTEMAT .
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