title: Chemical constituents of the whole plant of Elsholtzia rugulosa.
abstract: A new lignan glycoside, 7α, 7'β-bis-(4-hydroxy-3-methoxyphenyl)-7,9':7',9-diepoxylignan-8αH,8'α-O-β-d-(2″,7'α-epoxy)-glucopyranoside, named elshrugulosain (1), has been isolated from the EtOH extract of Elsholtzia rugulosa, together with six known compounds, ( - )-bornyl (E)-3,4,5-trimethoxycinnamate, apigenin, luteolin, apigenin-7-O-β-d-glucopyranoside, luteolin-7-O-β-d-glucopyranoside, and luteolin-3'-glucuronate methyl ester. Their structures were characterized by spectroscopic methods and comparison with the data in the literature. On the basis of detailed 1D and 2D NMR spectral analysis, as well as X-ray crystallographic diffraction, the NMR spectroscopic data of ( - )-bornyl (E)-3,4,5-trimethoxycinnamate were revised and assigned completely.
authors.affiliation: State Key Laboratory of Bioactive Substance and Function of Natural Medicines, Key Laboratory of Bioactive Substances and Resources Utilization of Chinese Herbal Medicine, Ministry of Education and Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing, China.
authors.forename: Bo
authors.initials: B
authors.lastname: Liu
authors.forename: An-Jun
authors.initials: AJ
authors.lastname: Deng
authors.forename: Jin-Qian
authors.initials: JQ
authors.lastname: Yu
authors.forename: Ai-Lin
authors.initials: AL
authors.lastname: Liu
authors.forename: Guan-Hua
authors.initials: GH
authors.lastname: Du
authors.forename: Hai-Lin
authors.initials: HL
authors.lastname: Qin
mesh_terms: D018360:Crystallography, X-Ray; D004365:Drugs, Chinese Herbal / Q000737:chemistry / Q000302:isolation & purification*; D005960:Glucosides / Q000737:chemistry / Q000302:isolation & purification*; D019686:Lamiaceae / Q000737:chemistry*; D017705:Lignans / Q000737:chemistry / Q000302:isolation & purification*; D008968:Molecular Conformation; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular; D013237:Stereoisomerism
chemical_list: C570821:7alpha,7'beta-bis-(4-hydroxy-3-methoxyphenyl)-7,9':7',9-diepoxylignan-8alphaH,8'alpha-O-beta-D-(2'',7'alpha-epoxy)glucopyranoside; D004365:Drugs, Chinese Herbal; D005960:Glucosides; D017705:Lignans