Conformational Analysis of 2,4-Disubstituted 9-Oxobicyclo[3.3.1]nonane Derivatives

1995 ◽  
Vol 60 (2) ◽  
pp. 216-223
Author(s):  
Pelayo Camps ◽  
Joan Castañé ◽  
Carlos Jaime ◽  
Francesc Pérez ◽  
Santiago Vázquez
Keyword(s):  
Nmr Spectroscopy ◽  
Conformational Analysis ◽  
Dicarboxylic Acid ◽  
Molecular Mechanics ◽  
Molecular Mechanics Calculations ◽  
C Nmr

The conformational analysis of several 2,4-disubstituted 9-oxobicyclo[3.3.1]nonane derivatives (diesters IIIb and IIIc, and dihalo compounds IV, Va, Vb and VI) derived from 9-oxobicyclo[3.3.1]nonane-exo-2, exo-4-dicarboxylic acid has been studied by 1H and 13C NMR spectroscopy with the aid of Molecular Mechanics Calculations (MM3 program).

Conformational analysis of [Cpp1, Sar7, Arg8] vasopressin by 1H-NMR spectroscopy and molecular mechanics calculations

2009 ◽  
Vol 38 (6) ◽  
pp. 528-538 ◽  
Author(s):  
MARK D. SHENDEROVICH ◽  
FRANCISZEK KASPRZYKOWSKI ◽  
ADAM LIWO ◽  
ILMARS SEKACIS ◽  
JURIS SAULITIS ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Conformational Analysis ◽  
Molecular Mechanics ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Molecular Mechanics Calculations

Circular Dichroism and Conformational Analysis of Diastereomeric Bicamphors

2000 ◽  
Vol 65 (4) ◽  
pp. 477-489 ◽  
Author(s):  
Stefan E. Boiadjiev ◽  
David A. Lightner
Keyword(s):  
Nmr Spectroscopy ◽  
Conformational Analysis ◽  
Molecular Mechanics ◽  
Spectral Data ◽  
Relative Orientation ◽  
Nmr Analysis ◽  
Molecular Mechanics Calculations ◽  
H Nmr ◽  
The Third ◽  
Carbonyl Chromophores

Stereospecific syntheses afforded endo,endo- (1) and exo,exo- (2) bicamphors, while the third possible diastereomeric exo,endo-bicamphor (3) originated from nonselective camphor radical dimerization. The stereochemistry of bicamphor linkage was confirmed by 1H NMR analysis. Chiroptical and ultraviolet spectral data are presented for the three diastereomers 1-3 to show interchromophoric interaction. Conformational analysis to evaluate the relative orientation of each pair of carbonyl chromophores was accomplished by 1H NMR spectroscopy and molecular mechanics calculations.

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