Synthesis of Small Libraries of Natural Products-Part III: Identification of New Esters from <i>Pelargonium graveolens</i> L'Her. (Geraniaceae) Essential Oil.

ABSTRACT: Pelargonium graveolens (rose geranium) essential oil contains numerous aroma-active esters that are challenging to identify at low abundance. We obtained by preparative chromatography an ester-rich fraction of the essential oil and constructed a synthetic reference library of 159 structurally related esters (spectral/GC data provided; 102 newly synthesized). This enabled dereplication and detection of constituents not apparent in direct GC-MS of the unfractionated oil. Nine esters (5-methylhexyl formate, (Z)-hex-3-en-1-yl 3-methylpentanoate, 3-methylbutyl 3-methylpentanoate, 3-methylpentyl 4-methylpentanoate, 5-methylhexyl hexanoate, 3-methylbutyl 6-methylheptanoate, 2-phenylethyl 6-methylheptanoate, 5-methylhexyl tiglate, and 6-methylheptyl tiglate) were confirmed as new nat

SUBMITTER: Gusinac Avdovic SF 

PROVIDER: S-EPMC12736027 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature