Absolute Configuration Assignment of Norcamphor-Derived Furyl Hydroperoxide Using Density Functional Theory Calculations of Optical Rotation and Vibrational Circular Dichroism

2010 ◽  
Vol 75 (7) ◽  
pp. 2179-2188 ◽  
Author(s):  
Alessandra Lattanzi ◽  
Arrigo Scettri ◽  
Riccardo Zanasi ◽  
Frank J. Devlin ◽  
Philip J. Stephens
Keyword(s):  
Density Functional Theory ◽  
Circular Dichroism ◽  
Absolute Configuration ◽  
Density Functional ◽  
Optical Rotation ◽  
Density Functional Theory Calculations ◽  
Vibrational Circular Dichroism ◽  
Functional Theory ◽  
Configuration Assignment ◽  
Circular Dichroïsm

scholarly journals Vibrational Circular Dichroism Absolute Configuration of 9,12-Cyclomulin-13-ol, a Diterpene from Azorella and Laretia Species

2015 ◽  
Vol 10 (8) ◽  
pp. 1934578X1501000
Author(s):  
Marcelo A. Muñoz ◽  
Aurelio San-Martín ◽  
Pedro Joseph-Nathan
Keyword(s):  
Density Functional Theory ◽  
Circular Dichroism ◽  
Absolute Configuration ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Vibrational Circular Dichroism ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
X Ray ◽  
Circular Dichroïsm

The absolute configuration of the diterpenoid 9,12-cyclomulin-13-ol (1), a constituent of Azorella and Laretia species, has been established by vibrational circular dichroism spectroscopy in combination with density functional theory calculations. The obtained normal diterpene absolute configuration confirms that of azorellanol (2), which was determined by single crystal X-ray diffraction.

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