Study On The Molecular Spectroscopy Of Ginsenoside

Study on the Molecular Spectroscopy of GinsenosideGinsenoside is one of the main effective and active compositions in Ginseng. So far, many kinds of analyses and identifications on the ginsenosides have been reported in the existent documents, however, there are relatively few studies on them by the method of molecular spectroscopy, even none. Therefore, we employed the Density Functional Theory ( DFT )with the experimental spectra, and investigated the structures and the vibrational spectra of ginsenosides. The author got a satisfied result.First, the structures and the vibration spectra of ginsenoside-Rgl and ginsenoside-Rh2 have been calculated by means of DFT. The obtained optimized geometry structures showed that the molecule structures of ginsenosides were reported for the first time.Second, the experimental spectra and calculated spectra of ginsenoside-Rgl and ginsenoside-Rh2 coincided better with each other. According to the calculated results by means of DFT, the vibrational spectra of both two saponins were identified completely and precisely for the first time.Third, the spectra of twelve kinds of ginsenosides ( ginsenoside-Rbl, ginsenoside-Rb2, ginsenoside-Rb3, ginsenoside-Rc, ginsenoside-Rd, ginsenoside-Rg3 and ginsenoside-Rh2 are the panaxadiol saponins, ginsenoside-Re, ginsenoside-Rf, ginsenoside-Rgl, ginsenoside-Rg2 and ginsenoside-Rhl are the panaxatriol saponins, ) have been assayed by means of IR and Raman, and the result has been got below: both the Raman spectra of the panaxadiol saponins and the panaxatriol saponins present very little difference, but the IR spectra show the obvious difference. So more information on the identification of ginsenosides could be shown by means of their IR spectra.