Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: the iridoids plumericin and isoplumericin.

@article{Stephens2007DeterminationOT,
  title={Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: the iridoids plumericin and isoplumericin.},
  author={Philip J. Stephens and James J. Pan and Frank J Devlin and Karsten Krohn and Tibor Kurt{\'a}n},
  journal={The Journal of organic chemistry},
  year={2007},
  volume={72 9},
  pages={3521-36}
}
The absolute configurations (ACs) of the iridoid natural products, plumericin (1) and isoplumericin (2), have been re-investigated using vibrational circular dichroism (VCD) spectroscopy, electronic circular dichroism (ECD) spectroscopy, and optical rotatory dispersion (ORD). Comparison of DFT calculations of the VCD spectra of 1 and 2 to the experimental… CONTINUE READING