title: Two new cadinane-type sesquiterpenes from the Chinese liverwort Frullania serrata.
abstract: Two new cadinane-type sesquiterpenes, frullanic acid (1) and frullanic acid methyl ester (2), together with four known bibenzyls, brittonin B (3), 3,3'-dimethoxy-4,5-methylenedioxybibenzyl (4), 3,4,5,3',4'-penlamethoxybibenzyl (5) and (±)-3-(4'-methoxybenzyl)-5,6-dimethoxyphtbalide (6), were isolated from the Chinese liverwort Frullania serrata. The structures of the new metabolites were elucidated by analysing the spectroscopic data (1D NMR, 2D NMR, HR-ESI-MS and IR). The absolute configurations of compounds 1 and 2 were determined by comparing the experimental and calculated electronic circular dichroism spectra predicted by using time-dependent density functional theory as well as the CD exciton chirality method.
authors: a Key Laboratory of Chemical Biology of Ministry of Education, Department of Natural Products Chemistry , School of Pharmaceutical Science, Shandong University , Jinan 250012 , P.R. China.
authors: Rui-Juan
authors: RJ
authors: Li
authors: Rong-Xiu
authors: RX
authors: Zhu
authors: Yu
authors: Y
authors: Zhao
authors: Susan L
authors: SL
authors: Morris-Natschke
authors: Chin-Ho
authors: CH
authors: Chen
authors: Song
authors: S
authors: Wang
authors: Jiao-Zhen
authors: JZ
authors: Zhang
authors: Jin-Chuan
authors: JC
authors: Zhou
authors: Hong-Xiang
authors: HX
authors: Lou
authors: Kuo-Hsiung
authors: KH
authors: Lee
mesh_terms: D001632:Bibenzyls / Q000737:chemistry / Q000302:isolation & purification; D002681:China; D002942:Circular Dichroism; D037961:Frullania / Q000737:chemistry*; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular; D000081223:Polycyclic Sesquiterpenes; D012717:Sesquiterpenes / Q000737:chemistry* / Q000302:isolation & purification*
chemical_list: D001632:Bibenzyls; D000081223:Polycyclic Sesquiterpenes; D012717:Sesquiterpenes; C508039:cadinane
keywords: CD exciton chirality method; Frullania serrata; Frullaniaceae; TDDFT ECD calculation; cadinane-type sesquiterpene; liverwort