The absolute configuration of 1β,10β-epoxydesacetoxymatricarin 1, a sesquiterpenoid isolated from Carthamus oxycantha, was established by TDDFT CD calculations in combination with single crystal X-ray analysis. Since the solid-state CD spectrum shows contributions from intermolecular interactions in the crystal, 1 represents a test case for our solid-state CD/TDDFT approach.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry