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.
|
Text
Absolute_Configurations_of_Brominated_Sesquiterpenes_Determined_by_Vibrational_Circular_Dichroism.pdf Download (49kB) | Preview |
Abstract
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.
| Item Type: | Article |
|---|---|
| Keyword: | vibrational circular dichroism;VCD;brominated metabolites;DFT calculation;marine natural products;absolute configuration;sesquiterpene |
| Subjects: | Q Science > QD Chemistry |
| Depositing User: | ADMIN ADMIN |
| Date Deposited: | 15 Oct 2015 16:13 |
| Last Modified: | 12 Oct 2017 14:23 |
| URI: | https://eprints.ums.edu.my/id/eprint/12036 |
Actions (login required)
 |
View Item |