A new sesquiterpenoid from the roots of Nardostachys jatamansi (D.Don) DC

Five molecules, including a new sesquiterpenoid (3aR,5R,8aR)-5-isopropyl-8a-methyl-8-methyleneoctahydroazulen-3a(1H)-ol (1), valeranone (2), 4β,5β-dihydroxy-10-epi-eudesmane (3), halanpinol (4) and β-sitosterol (5), have been isolated from the roots of Nardostachys jatamansi (D.Don) DC. Compounds 2 and 3 have been reported for the first time from this plant species. The structure elucidation of these five molecules has been established based on 1D, 2D NMR and HRESIMS-based spectroscopic data analysis. All the isolated compounds were subjected to in silico molecular docking studies against multiple acetylcholinesterase proteins. Further in vitro potential of the compounds was also evaluated.