Absolute configurations of phytotoxic inuloxins B and C based on experimental and computational analysis of chiroptical properties

摘要: Abstract The absolute configuration of phytotoxins inuloxins B and C, produced by Inula viscosa, with potential herbicidal activity for the management parasitic plants, has been determined Time-dependent density functional theory computational prediction electronic circular dichroism optical rotatory dispersion spectra. inuloxin converted to its 5-O-acetyl derivative, which due more constrained conformational features facilitated analysis chiroptical properties. based on experimental computed data led assignment naturally occurring (+)-inuloxin (−)-inuloxin C as (7R,8R,10S,11S) (5S,7S,8S,10S), respectively.