title: Solid state structure and absolute configuration of filifolinol acetate.
abstract: Careful reevaluation of the 1H and 13C NMR spectroscopic data of filifolinol acetate (4) led to the reassignment of the C-10 and C-11 signals, as well as the gem-dimethyl signals. Single crystal X-ray analysis provided an independent structural confirmation of 4, and comparison of the experimental vibrational circular dichroism spectrum with calculations performed using density functional theory provided the absolute configuration of this 3H-spiro-1-benzofuran-2,1'-cyclohexane and related molecules.
authors.affiliation: Instituto de Ciencias Químicas, Universidad Austral de Chile, Casilla 567, Valdivia, Chile.
authors.forename: Marcelo A
authors.initials: MA
authors.lastname: Muñoz
authors.forename: Alejandro
authors.initials: A
authors.lastname: Urzúa
authors.forename: Javier
authors.initials: J
authors.lastname: Echeverría
authors.forename: Brenda
authors.initials: B
authors.lastname: Modak
authors.forename: Pedro
authors.initials: P
authors.lastname: Joseph-Nathan
mesh_terms: D001572:Benzofurans / Q000737:chemistry*; D003510:Cyclohexanes / Q000737:chemistry*; D028162:Heliotropium / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D019441:Plant Epidermis / Q000737:chemistry; D013141:Spiro Compounds / Q000737:chemistry*
chemical_list: D001572:Benzofurans; D003510:Cyclohexanes; D013141:Spiro Compounds; C560648:filifolinol acetate