title: Structure determination of grandifotane A from Khaya grandifoliola by NMR, X-ray diffraction, and ECD calculation.
abstract: Grandifotane A (1), a limonoid with an unprecedented carbon skeleton, was isolated from the stem bark of Khaya grandifoliola. The structure of 1 with the absolute configuration was determined by spectroscopic data, X-ray crystallography, and ECD calculation. A biogenetic route for grandifotane A (1) involving an enzymatic Baeyer-Villiger oxidation as the key step is proposed.
authors.affiliation: State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, 555 Zuchongzhi Road, Zhangjiang Hi-Tech Park, Shanghai 201203, People's Republic of China.
authors.forename: Tao
authors.initials: T
authors.lastname: Yuan
authors.forename: Rong-Xiu
authors.initials: RX
authors.lastname: Zhu
authors.forename: Hua
authors.initials: H
authors.lastname: Zhang
authors.forename: Oluwatoyin A
authors.initials: OA
authors.lastname: Odeku
authors.forename: Sheng-Ping
authors.initials: SP
authors.lastname: Yang
authors.forename: Shang-Gao
authors.initials: SG
authors.lastname: Liao
authors.forename: Jian-Min
authors.initials: JM
authors.lastname: Yue
mesh_terms: D000818:Animals; D002942:Circular Dichroism; D018360:Crystallography, X-Ray; D036701:Limonins / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D029582:Meliaceae / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: D036701:Limonins; C547493:grandifotane A