Artículos de revistas
PRINCIPAL COMPONENT ANALYSIS OF THE C-13 NMR SHIFTS OF NORBORNYL DERIVATIVES .2. TETRACYCLIC DODECANE DERIVATIVES
Registro en:
Magnetic Resonance In Chemistry. John Wiley & Sons Ltd, v. 31, n. 3, n. 247, n. 253, 1993.
0749-1581
WOS:A1993KQ90800006
10.1002/mrc.1260310307
Autor
TOSTES, JGR
SEIDL, PR
LEAL, KZ
BRUNS, RE
Institución
Resumen
Principal component analysis is applied to the C-13 NMR chemical shifts of 29 tetracyclic dodecane derivatives, the spectra of most of which have been recently assigned. These derivatives are subdivided into three classes: exo-endo, exo-exo and endo-endo. Only the seven C-13 shifts of one of the two norbornyl moieties of these derivatives are used in the construction of the data matrix, the other moiety being considered as a ring substituent. This data treatment allows these 29 systems to become a test system for a previously worked (through principal component analysis) standard or training set of C-13 shifts of 55 substituted norbornanes. Only one two-dimensional principal component projection is necessary for identifying the main structural effects in the chosen norbornyl moiety of the test system, highlighting trends in the C-13 data of these test derivatives and confirming their recent C-13 spectral assignments. 31 3 247 253