2.3 Structure elucidation
Infrared (IR) spectra were recorded on a Shimadzu 8900 FTIR spectrophotometer as neat. Molecular weight of the compound was determined by LCMS/MS using Waters Xevo® G2-QT equipped with Aquity BEH C18 1.7 µm column, having 2.1 x 50 mm dimensions. 1H NMR spectra were recorded on a Bruker NMR spectrometer and the chemical shifts were expressed in δ (ppm) with trimethylsilane as the internal reference. 1H-NMR and 13C-NMR spectra were recorded on a Brucker AV500 Spectrometer, operating at 500 MHz for 1H NMR and 500 MHz for 13C spectra. The chemical shifts were given in ppm (δ) and were referenced relative to CDCl3 (δ7.26 and 77.24 ppm for1H and 13C NMR respectively). Activity spectra of the identified compound were predicted using PASS prediction server (http://www.way2drug.com/PASSOnline/) (Filimonovet al., 2004) which generated FAS as possible lead target enzyme.