Monde, Kenji and Taniguchi, Tohru and Miura, Nobuaki and Charles Santhanaraju Vairappan, and Suzuki, Minoru (2006) Absolute configurations of brominated sesquiterpenes determined by vibrational circular dichroism. In: 10th Internaional Conference on Circular Dichroism, August 2005, Sandestin, Florida.
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Official URL: http://dx.doi.org/10.1002/chir.20259
Two brominated sesquiterpenes, majapolene B (1) and acetylmajapolene B (2), isolated from the red algal genus Laurencia were investigated using vibrational circular dichroism (VCD). The ab initio theoretical VCD and IR calculations of 1 and 2 were performed by density functional theory (DFT) using the B3PW91/631G(d,p) basis set. The experimental VCD spectra and corresponding population-weighted theoretical VCD spectra were found to be in excellent agreement in CCl4 solution in the 1800-850 cm(-1) region, which allowed unambiguous determination of the absolute configurations of (-)-1 and (-)-2 as 7S,10S and 7S,10S, respectively.
|Item Type:||Conference Paper (UNSPECIFIED)|
|Uncontrolled Keywords:||Vibrational circular dichroism, VCD, Brominated metabolites, DFT calculation, Marine natural products, Absolute configuration, Sesquiterpene|
|Subjects:||?? QD450-801 ??|
|Divisions:||SCHOOL > Borneo Marine Research Institute|
|Deposited By:||IR Admin|
|Deposited On:||04 Oct 2011 17:54|
|Last Modified:||04 Oct 2011 17:54|
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