Figure 2.
Comparison between experimental UV (top) and ECD spectra (bottom) measured for truncatenolide (1) and calculated at the CAM-B3LYP/def2-TZVP/PCM//ωB97X-D/6-311+G(d,p)/SMD level. See the Experimental and Computational Sections for details.
Comparison between experimental UV (top) and ECD spectra (bottom) measured for truncatenolide (1) and calculated at the CAM-B3LYP/def2-TZVP/PCM//ωB97X-D/6-311+G(d,p)/SMD level. See the Experimental and Computational Sections for details.