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https://locus.ufv.br//handle/123456789/21954
Tipo: | Artigo |
Título: | A novel alkaloid isolated from Crotalaria paulina and identified by NMR and DFT calculations |
Autor(es): | Oliveira, Ramon Prata Demuner, Antonio Jacinto Alvarenga, Elson Santiago Barbosa, Luiz Claudio Almeida Silva, Thiago de Melo |
Abstract: | Pyrrolizidine alkaloids (PAs) are secondary metabolites found in Crotalaria genus and are known to have several biological activities. A novel macrocycle bislactone alkaloid, coined ethylcrotaline, was isolated and purified from the aerial parts of Crotalaria paulina. The novel macrocycle was identified with the aid of high resolution mass spectrometry and advanced nuclear magnetic resonance techniques. The relative stereochemistry of the alkaloid was defined by comparing the calculated quantum mechanical hydrogen and carbon chemical shifts of eight candidate structures with the experimental NMR data. The best fit between the eight candidate structures and the experimental NMR chemical shifts was defined by the DP4 statistical analyses and the Mean Absolute Error (MAE) calculations. |
Palavras-chave: | MAE DP4 Macrocycle Ethylcrotaline Pyrrolizidine Bislactone |
Editor: | Journal of Molecular Structure |
Tipo de Acesso: | Elsevier B.V. |
URI: | https://doi.org/10.1016/j.molstruc.2017.09.065 http://www.locus.ufv.br/handle/123456789/21954 |
Data do documento: | 15-Fev-2018 |
Aparece nas coleções: | Artigos |
Arquivos associados a este item:
Arquivo | Descrição | Tamanho | Formato | |
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artigo.pdf Until 2100-12-31 | texto completo | 400,3 kB | Adobe PDF | Visualizar/Abrir ACESSO RESTRITO |
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