title: X-ray structure analysis of lappaconitine.
abstract: Lappaconitine is an important alkaloid of the aconite family and its biological activity is closely related to its structure. Through an X-ray structure analysis of hydrated lappaconitine hydrobromide, which was synthesised by us through a new method, the absolute configuration of lappaconitine was determined: monoclinic, P2(1), a = 10.619(2) A, b = 12.196(3) A, c = 12.282(2) A, beta = 90.87(1) degrees and Z = 2; Flack parameter is -0.0083(0.0046) and S = 0.867. Rings A, B, C, D, E and F, respectively, present boat, chair, envelope, boat, boat and envelope forms. The absolute stereo configuration of lappaconitine was determined as 1S, 4S, 5S, 7S, 8S, 9S, 10S, 11S, 13R, 14S, 16S and 17R.
authors.affiliation: Institute of Polymers, Northwest Normal University, Gansu Key Laboratory of Polymer Materials, Lanzhou, China.
authors.forename: Wenxiu
authors.initials: W
authors.lastname: Sun
authors.forename: Yunpu
authors.initials: Y
authors.lastname: Wang
authors.forename: Ji
authors.initials: J
authors.lastname: Zhang
authors.forename: Kaibei
authors.initials: K
authors.lastname: Yu
mesh_terms: D000157:Aconitine / Q000031:analogs & derivatives* / Q000737:chemistry; D018360:Crystallography, X-Ray; D015394:Molecular Structure; D013237:Stereoisomerism
chemical_list: D000157:Aconitine; C022150:lappaconitine