Absolute Configuration of Sargaol Acetate Using DFT Calculations and Vibrational Circular Dichroism

Heterocycles ◽  
2010 ◽  
Vol 81 (3) ◽  
pp. 625 ◽  
Author(s):  
Pedro Joseph-Nathan ◽  
Marcelo A. Muñoz ◽  
Carlos Areche ◽  
Juana Rovirosa ◽  
Aurelio San-Martín
Keyword(s):  
Circular Dichroism ◽  
Dft Calculations ◽  
Absolute Configuration ◽  
Vibrational Circular Dichroism ◽  
Circular Dichroïsm

Absolute Configuration of the Meroditerpenoids Taondiol and Epitaondiol Diacetates by Vibrational Circular Dichroism

Heterocycles ◽  
2012 ◽  
Vol 85 (8) ◽  
pp. 1961 ◽  
Author(s):  
Pedro Joseph-Nathan ◽  
Marcelo A. Muñoz ◽  
Carlos Areche ◽  
Juana Rovirosa ◽  
Aurelio San Martín ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Absolute Configuration ◽  
Vibrational Circular Dichroism ◽  
Circular Dichroïsm

A combined Raman optical activity and vibrational circular dichroism study on artemisinin-type products

2020 ◽  
Vol 22 (32) ◽  
pp. 18014-18024 ◽  
Author(s):  
Jonathan Bogaerts ◽  
Filip Desmet ◽  
Roy Aerts ◽  
Patrick Bultinck ◽  
Wouter Herrebout ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Circular Dichroism ◽  
Dft Calculations ◽  
Optical Activity ◽  
Density Functional ◽  
Vibrational Circular Dichroism ◽  
Front Line ◽  
Functional Theory ◽  
Raman Optical Activity ◽  
Circular Dichroïsm

Artemisinin and two of its derivatives, dihydroartemisinin and artesunate, front line drugs against malaria, were studied using Raman optical activity (ROA), vibrational circular dichroism (VCD) experiments and density functional theory (DFT) calculations.

scholarly journals Piscicartone, a Rotenoid From Piscidia carthagenensis

2019 ◽  
Vol 14 (5) ◽  
pp. 1934578X1984979
Author(s):  
Alfredo R. Ortega ◽  
Nury Pérez-Hernández ◽  
Pedro Joseph-Nathan
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Fourier Transform ◽  
Circular Dichroism ◽  
Magnetic Resonance ◽  
Discrete Fourier Transform ◽  
Absolute Configuration ◽  
Vibrational Circular Dichroism ◽  
Magnetic Resonance Studies ◽  
Circular Dichroïsm ◽  
Nuclear Magnetic

The bark of the roots of Piscidia carthagenensis afforded the known insecticides rotenone (1) and millettone (2), as well as the new rotenoid piscicartone (3). The structure of 3 followed from nuclear magnetic resonance studies, while its absolute configuration (AC) was determined by vibrational circular dichroism (VCD) measurements in comparison with discrete Fourier transform B3LYP/DGDZVPcalculated spectra using the Compare VOA software. In addition, the AC of 1 and 2 was verified using the same VCD methodology.

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