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.