title: Atropoisomerism in Biflavones: The Absolute Configuration of (-)-Agathisflavone via Chiroptical Spectroscopy.
abstract: The first natural occurrence in optically active form of the dimeric flavonoid agathisflavone and definition of its axial chirality using chiroptical spectroscopic methods are described. The experimental electronic circular dichroism, electronic dissymmetry factor, optical rotatory dispersion, vibrational circular dichroism (VCD), and vibrational dissymmetry factor spectra of agathisflavone are presented and analyzed with their corresponding quantum chemical predictions to definitively assign the axial chirality of (-)-agathisflavone as (aS).
authors.affiliation: Department of Chemistry, Vanderbilt University , Nashville, Tennessee 37235, United States.
authors.forename: Cody L
authors.initials: CL
authors.lastname: Covington
authors.affiliation: Department of Chemistry, Vanderbilt University , Nashville, Tennessee 37235, United States.|Instituto de Pesquisas de Produtos Naturais, Universidade Federal do Rio de Janeiro , 21941-902, Rio de Janeiro, RJ, Brazil.
authors.forename: Fernando M S
authors.initials: FM
authors.lastname: Junior
authors.affiliation: Instituto de Pesquisas de Produtos Naturais, Universidade Federal do Rio de Janeiro , 21941-902, Rio de Janeiro, RJ, Brazil.
authors.forename: Jessica H S
authors.initials: JH
authors.lastname: Silva
authors.affiliation: Instituto de Pesquisas de Produtos Naturais, Universidade Federal do Rio de Janeiro , 21941-902, Rio de Janeiro, RJ, Brazil.
authors.forename: Ricardo M
authors.initials: RM
authors.lastname: Kuster
authors.affiliation: Instituto de Pesquisas de Produtos Naturais, Universidade Federal do Rio de Janeiro , 21941-902, Rio de Janeiro, RJ, Brazil.
authors.forename: Mauro B
authors.initials: MB
authors.lastname: de Amorim
authors.affiliation: Department of Chemistry, Vanderbilt University , Nashville, Tennessee 37235, United States.
authors.forename: Prasad L
authors.initials: PL
authors.lastname: Polavarapu
mesh_terms: D044946:Biflavonoids / Q000737:chemistry*; D002942:Circular Dichroism; D008968:Molecular Conformation; D015394:Molecular Structure; D009905:Optical Rotatory Dispersion; D013237:Stereoisomerism
chemical_list: D044946:Biflavonoids; C079168:agathisflavone