title: A new acorane sesquiterpene from the aerial parts of Psychotria yunnanensis.
abstract: Psycacoraone A (1), a new acorane-type sesquiterpene possessing rare spirobicyclic carbon skeleton, was isolated from the aerial parts of Psychotria yunnanensis. Its structure was elucidated on the basis of spectroscopic methods including HR-ESI-MS, 1D and 2D NMR. The absolute configuration of 1 was determined by calculation of electronic circular dichroism using density functional theory.
authors.affiliation: a State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University , 24 Tong Jia Xiang, Nanjing 210009 , People's Republic of China.
authors.forename: Qinpei
authors.initials: Q
authors.lastname: Lu
authors.forename: Junsong
authors.initials: J
authors.lastname: Wang
authors.forename: Jun
authors.initials: J
authors.lastname: Luo
authors.forename: Xiaobing
authors.initials: X
authors.lastname: Wang
authors.forename: Siming
authors.initials: S
authors.lastname: Shan
authors.forename: Lingyi
authors.initials: L
authors.lastname: Kong
mesh_terms: D000818:Animals; D002460:Cell Line; D008264:Macrophages / Q000187:drug effects; D051379:Mice; D015394:Molecular Structure; D009569:Nitric Oxide / Q000096:biosynthesis; D035261:Plant Components, Aerial / Q000737:chemistry*; D032069:Psychotria / Q000737:chemistry*; D012717:Sesquiterpenes / Q000737:chemistry* / Q000302:isolation & purification
chemical_list: D012717:Sesquiterpenes; C000597076:psycacoraone A; D009569:Nitric Oxide
keywords: Psychotria yunnanensis; Rubiaceae; acorane sesquiterpene; calculated ECD; psycacoraone A