Fig. 4 in Gigantelline, gigantellinine and gigancrinine, cherylline- and crinine-type alkaloids isolated from Crinum jagus with anti-acetylcholinesterase activity

Fig. 4. UV–vis absorption (top) and ECD spectra (bottom) of gigancrinine (3) measured in acetonitrile (solid lines, 8.0 mM, 0.01 cm cell) compared with spectra calculated for (1R,2R,3R,4aR,10bS)-3 at the B3LYP/def2-TZVP/PCM level as Boltzmann average of 3 conformers at 300 K (dotted lines). Calculated spectra were obtained as sums of Gaussian bands with 0.25 eV exponential halfwidth, red-shifted by 5 nm, ECD spectrum scaled by a factor 3. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)