Minoru Suzuki, and Motonari Daitoh, and Charles Santhanaraju Vairappan, and Tsuyoshi Abe, and Michio Masuda, (2006) Absolute Configurations of Brominated Sesquiterpenes Determined by Vibrational Circular Dichroism. Chirality 18:335. Chirality, 8 (5). pp. 335-339.
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 B3PW91/6-31G(d,p) basis set. The experimental VCD spectra and corresponding population-weighted theoretical VCD spectra were found to be in excellent agreement in CCl(4) 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.
|Uncontrolled Keywords:||vibrational circular dichroism;VCD;brominated metabolites;DFT calculation;marine natural products;absolute configuration;sesquiterpene|
|Subjects:||Q Science > QD Chemistry|
|Deposited By:||IR Admin|
|Deposited On:||15 Oct 2015 16:13|
|Last Modified:||15 Oct 2015 16:13|
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