scholarly journals The Potential Utility of Predicted One Bond Carbon-Proton Coupling Constants in the Structure Elucidation of Small Organic Molecules by NMR Spectroscopy

PLoS ONE ◽  
2014 ◽  
Vol 9 (11) ◽  
pp. e111576 ◽  
Author(s):  
Chandrasekhar Venkata ◽  
Mark J. Forster ◽  
Peter W. A. Howe ◽  
Christoph Steinbeck
Keyword(s):  
Nmr Spectroscopy ◽  
Structure Elucidation ◽  
Organic Molecules ◽  
Coupling Constants ◽  
Potential Utility ◽  
Small Organic Molecules ◽  
Proton Coupling

Ecuadorin, a novel tetranortriterpenoid of Guareakunthiana: structure elucidation by 2-D NMR spectroscopy

1992 ◽  
Vol 70 (5) ◽  
pp. 1260-1264 ◽  
Author(s):  
Baldwin S. Mootoo ◽  
Cumandá Játiva ◽  
Winston F. Tinto ◽  
William F. Reynolds ◽  
Stewart McLean
Keyword(s):  
Nmr Spectroscopy ◽  
Structure Elucidation ◽  
Pulse Sequence ◽  
Coupling Constants ◽  
Spectroscopic Methods

Ecuadorin (1), C29H34O10, a novel tetranortriterpenoid, has been isolated from Guareakunthiana (Meliaceae) collected in Ecuador. Its structure has been established by spectroscopic methods, mainly 2-D NMR spectroscopy; the value of the FLOCK pulse sequence in the determination of 2- and 3-bond 13C–1H connectivities is illustrated. Ecuadorin has been reduced to the dihydro and tetrahydro derivatives (2 and 3), and these have provided information regarding the stereochemistry of ecuadorin. Stereochemical arguments have been based on observed vicinal 1H–1H coupling constants and NOE measurements, as well as on biosynthetic hypothesis.

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