Automatic identification of terpenoid skeletons through 13C nuclear magnetic resonance data disfunctionalization
作者： Marcelo JP Ferreira , Antônio JC Brant , Gilberto V Rodrigues , Vicente P Emerenciano , None
DOI: 10.1016/S0003-2670(00)01268-X
关键词:
摘要: Abstract The proposal of this paper is to present a procedure that utilizes 13 C NMR for terpenoid skeletons identification. By reason, novel program named REGRAS was developed the specialist system SISTEMAT. This carries out an analysis data from given compound and, ranges chemical shifts, recognizes functions existing on specific positions carbon skeletons. At end procedure, matches types atoms obtained against database, displaying as results likely questioned substance. tested skeleton elucidation 35 compounds most varied classes terpenoids, exhibiting excellent in prevision precesses.
elsevier.com
sci-hub.se 参考文章(60)
Neil A. B. Gray, Computer-assisted structure elucidation ,(1986)
Karel Vokáč, Miloš Buděšnský, Juraj Harmatha, Jitka Kohoutová, Ecdysteroid constituents of the mushroom Tapinella panuoides Phytochemistry. ,vol. 49, pp. 2109- 2114 ,(1998) , 10.1016/S0031-9422(98)00448-8
Joshua Lederberg, E. A. Feigenbaum, Robert K. Lindsay, Bruce G. Buchanan, Applications of Artificial Intelligence for Organic Chemistry: The DENDRAL Project 0-07-037895-9. ,(1980)
A. Cooper, A. D. Roberts, R. A. Hill, Dictionary of steroids : chemical data, structures, and bibliographies Chapman and Hall. ,(1991)
Chun-Tao Che, Tian-Xi Zhou, Qing-Gao Ma, Guo-Wei Qin, Ian D. Williams, Hou-Ming Wu, Zheng-Shuang Shi, Diterpenes and aromatic compounds from Euphorbia fischeriana Phytochemistry. ,vol. 52, pp. 117- 121 ,(1999) , 10.1016/S0031-9422(99)00169-7
Craig A. Shelley, Morton E. Munk, Computer prediction of substructures from carbon-13 nuclear magnetic resonance spectra Analytical Chemistry. ,vol. 54, pp. 516- 521 ,(1982) , 10.1021/AC00240A037
Nezhun Gören, Süheyla Kirmizigül, Christa Zdero, A farnesol derivative from Tanacetum aucheranum Phytochemistry. ,vol. 44, pp. 311- 313 ,(1997) , 10.1016/S0031-9422(96)00373-1
R.X. Tan, L.D. Kong, H.X. Wei, Secoiridoid glycosides and an antifungal anthranilate derivative from Gentiana tibetica Phytochemistry. ,vol. 47, pp. 1223- 1226 ,(1998) , 10.1016/S0031-9422(97)00698-5
Gilberto do V. Rodrigues, Ivan P. de Arruda Campos, Vicente de P. Emerenciano, Applications of artificial intelligence to structure determination of organic compounds. XX. Determination of groups attached to the skeleton of natural products using 13 C nuclear magnetic resonance spectroscopy Spectroscopy. ,vol. 13, pp. 191- 200 ,(1997) , 10.1155/1997/657194
João Oiano Neto, M Fátimá Das GF Da Silva, Edson Rodrigues Fo, João B Fernandes, Paulo C Vieira, Antônio L Pinheiro, None, Norlimonoids from seeds of Toona ciliata Phytochemistry. ,vol. 49, pp. 1369- 1373 ,(1998) , 10.1016/S0031-9422(97)00872-8