A new sesquiterpenoid from the roots of <i>Nardostachys jatamansi</i> (D.Don) DC

Five molecules, including a new sesquiterpenoid (3a<i>R</i>,5<i>R</i>,8a<i>R</i>)-5-isopropyl-8a-methyl-8-methyleneoctahydroazulen-3a(1H)-ol (<b>1</b>), valeranone (<b>2</b>), 4<i>β</i>,5<i>β</i>-dihydroxy-10-epi-eudesmane (<b>3</b>), halanpinol (<b>4</b>) and <i>β</i>-sitosterol (<b>5</b>), have been isolated from the roots of <i>Nardostachys jatamansi</i> (D.Don) DC. Compounds <b>2</b> and <b>3</b> 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 <i>in silico</i> molecular docking studies against multiple acetylcholinesterase proteins. Further <i>in vitro</i> potential of the compounds was also evaluated.