Multilevel Compositional Characterization of Shea Butter: Fatty Acids, Triacylglycerols, and Unsaponifiable Constituents

ABSTRACT Shea butter is a compositionally complex vegetable fat with a distinct multi‐level lipid composition. In this study, the fatty acid (FA), triacylglycerol (TAG), and unsaponifiable fractions of commercial shea butter were characterized to establish a multi‐level analysis of its lipid composition. The FA profile was dominated by stearic acid (43.38% ± 0.13%) and oleic acid (42.77% ± 0.27%), which together accounted for 86.15% of the total FAs. The TAG fraction was mainly composed of C52 and C54 molecular species enriched in saturated‐unsaturated acyl‐chain combinations, indicating a relatively concentrated TAG distribution. MS/MS fragmentation further supported the tentative assignment of fatty‐acyl compositions of representative TAG species based on characteristic neutral losses of fatty acyl chains. The unsaponifiable fraction contained representative sterols and triterpene alcohols, among which lupeol, lanosterol, and α‐amyrin were tentatively annotated based on chromatographic behavior and mass‐spectral characteristics, with additional support from complementary GC–EI–MS spectral‐library matching. Triterpene alcohols exhibited characteristic fragmentation patterns associated with dehydration and diagnostic product ions. Together, the coordinated characterization of FAs, TAGs, and unsaponifiable constituents provides an integrated framework for interpreting lipid composition across different molecular levels.