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Automatic identification by C-13 NMR of substituent groups bonded in natural product skeletons

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dc.contributor.authorFerreira, MJP
dc.contributor.authorOliveira, F. C.
dc.contributor.authorAlvarenga, SAV
dc.contributor.authorMacari, PAT
dc.contributor.authorRodrigues, G. V.
dc.contributor.authorEmerenciano, V. P.
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniv Mackenzie
dc.contributor.institutionUniversidade Federal de Minas Gerais (UFMG)
dc.date.accessioned2014-05-20T15:25:35Z
dc.date.available2014-05-20T15:25:35Z
dc.date.issued2002-11-01
dc.description.abstractThe aim of this paper is to present a procedure that utilizes C-13 NMR for identification of substituent groups which are bonded to carbon skeletons of natural products. For so much was developed a new version of the program (MACRONO), that presents a database with 161 substituent types found in the most varied terpenoids. This new version was widely tested in the identification of the substituents of 60 compounds that, after removal of the signals that did not belong to the carbon skeleton, served to test the prediction of skeletons by using other programs of the expert system (SISTEMAT). (C) 2002 Elsevier B.V. Ltd. All rights reserved.en
dc.description.affiliationUniv São Paulo, Inst Quim, BR-05513970 São Paulo, Brazil
dc.description.affiliationUNESP, Fac Engn Guaratingueta, BR-12516410 São Paulo, Brazil
dc.description.affiliationUniv Mackenzie, Fac Ciências Exatas & Expt, BR-01239902 São Paulo, Brazil
dc.description.affiliationUniv Fed Minas Gerais, Dept Quim, ICEx, BR-31061000 Belo Horizonte, MG, Brazil
dc.description.affiliationUnespUNESP, Fac Engn Guaratingueta, BR-12516410 São Paulo, Brazil
dc.format.extent601-632
dc.identifierhttp://dx.doi.org/10.1016/S0097-8485(02)00029-3
dc.identifier.citationComputers & Chemistry. Oxford: Pergamon-Elsevier B.V., v. 26, n. 6, p. 601-632, 2002.
dc.identifier.doi10.1016/S0097-8485(02)00029-3
dc.identifier.issn0097-8485
dc.identifier.urihttp://hdl.handle.net/11449/35966
dc.identifier.wosWOS:000178479600005
dc.language.isoeng
dc.publisherElsevier B.V.
dc.relation.ispartofComputers & Chemistry
dc.rights.accessRightsAcesso restritopt
dc.sourceWeb of Science
dc.subjectterpenoidspt
dc.subjectnatural productspt
dc.subjectC-13 NMRpt
dc.subjectsubstituent elucidationpt
dc.subjectexpert systempt
dc.titleAutomatic identification by C-13 NMR of substituent groups bonded in natural product skeletonsen
dc.typeArtigopt
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dcterms.rightsHolderElsevier B.V.
dspace.entity.typePublication
unesp.campusUniversidade Estadual Paulista (UNESP), Faculdade de Engenharia e Ciências, Guaratinguetápt

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Guaratinguetá - FEG - Faculdade de Engenharia e Ciências