title: New Bufadienolides Isolated from the Roots of Kalanchoe daigremontiana (Crassulaceae).
abstract: An aqueous extract from the roots of Kalanchoe daigremontiana turned out to be a rich source of bufadienolides. The existing literature data relate mainly to the aerial parts of Kalanchoe but there is no information about the metabolic profile of the roots, which are also used in traditional medicine. Our investigation concerning the roots of K. daigremontiana led to the isolation and characterization of eight new bufadienolides, namely 1β,3β,5β,14β,19-pentahydroxybufa-20,22-dienolide (1), 19-(acetyloxy)-1β,3β,5β,14β-tetrahydroxybufa-20,22-dienolide (2), 3β-O-α-l-rhamno-pyranosyl-5β,11α,14β,19-tetrahydroxybufa-20,22-dienolide (3), 19-(acetyloxy)-3β,5β,11α,14β-tetrahydroxybufa-20,22-dienolide (4), 3β,5β,11α,14β,19-pentahydroxy-12-oxo-bufa-20,22-dienolide (5), 19-(acetyloxy)-3β,5β,11α,14β-tetrahydroxy-12-oxo-bufa-20,22-dienolide (6), 19-(acetyloxy)-1β,3β,5β,11α,14β-pentahydroxy-12-oxo-bufa-20,22-dienolide (7) and 1β-(acetyloxy)-3β,5β,11α,14β,19-pentahydroxy-12-oxo-bufa-20,22-dienolide (8), together with seven known compounds: 11α,19-dihydroxytelocinobufagin (9), bersaldegenin-1-acetate (10), daigredorigenin-3-acetate (11), bersaldegenin-1,3,5-orthoacetate (12), bryotoxin B (13), bryophyllin B (14) and bersaldegenin (15). The structures were established applying extensive 1D- and 2D-NMR and MS spectroscopic analyses.
authors.affiliation: Department of Biochemistry and Crop Quality, Institute of Soil Science and Plant Cultivation-State Research Institute, ul. Czartoryskich 8, 24-100 Puławy, Poland. bszajwaj@iung.pulawy.pl.
authors.forename: Barbara
authors.initials: B
authors.lastname: Moniuszko-Szajwaj
authors.affiliation: Department of Biochemistry and Crop Quality, Institute of Soil Science and Plant Cultivation-State Research Institute, ul. Czartoryskich 8, 24-100 Puławy, Poland. lpecio@iung.pulawy.pl.
authors.forename: Łukasz
authors.initials: Ł
authors.lastname: Pecio
authors.affiliation: Department of Biochemistry and Crop Quality, Institute of Soil Science and Plant Cultivation-State Research Institute, ul. Czartoryskich 8, 24-100 Puławy, Poland. mkowalczyk@iung.pulawy.pl.
authors.forename: Mariusz
authors.initials: M
authors.lastname: Kowalczyk
authors.affiliation: Department of Biochemistry and Crop Quality, Institute of Soil Science and Plant Cultivation-State Research Institute, ul. Czartoryskich 8, 24-100 Puławy, Poland. asf@iung.pulawy.pl.
authors.forename: Anna
authors.initials: A
authors.lastname: Stochmal
mesh_terms: D002018:Bufanolides / Q000737:chemistry* / Q000302:isolation & purification; D002301:Cardiac Glycosides / Q000737:chemistry* / Q000302:isolation & purification; D002316:Cardiotonic Agents / Q000737:chemistry* / Q000302:isolation & purification; D006801:Humans; D031962:Kalanchoe / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D010936:Plant Extracts / Q000737:chemistry; D018517:Plant Roots / Q000737:chemistry*; D012997:Solvents; D014867:Water
chemical_list: D002018:Bufanolides; D002301:Cardiac Glycosides; D002316:Cardiotonic Agents; D010936:Plant Extracts; D012997:Solvents; D014867:Water
keywords: Crassulaceae; Kalanchoe daigremontiana; NMR; bufadienolides