title: Roussoellols A and B, tetracyclic fusicoccanes from Roussoella hysterioides.
abstract: The structures of the tetracyclic fusicoccanes roussoellols A (1) and B (2) from Roussoella hysterioides KT1651 are described. NMR spectroscopic analyses involving NOESY experiments revealed that these molecules possessed unique bent structures that were supported by chemical derivatizations as well as chemical shift comparisons with theoretical shifts based on the density functional theory (DFT) at the EDF2/6-31G* level. Absolute configurations were established by the ECD couplet of positive chirality in both 1 and 2 at vacuum UV (VUV) region, which were further confirmed by successful reproduction of VUVCD spectra using theoretical calculations.
authors.affiliation: Faculty of Agriculture and Bioscience, Hirosaki University, Hirosaki, 036-8561, Japan.
authors.forename: Hiroto
authors.initials: H
authors.lastname: Takekawa
authors.forename: Kazuaki
authors.initials: K
authors.lastname: Tanaka
authors.forename: Eri
authors.initials: E
authors.lastname: Fukushi
authors.forename: Koichi
authors.initials: K
authors.lastname: Matsuo
authors.forename: Tatsuo
authors.initials: T
authors.lastname: Nehira
authors.forename: Masaru
authors.initials: M
authors.lastname: Hashimoto
mesh_terms: D001203:Ascomycota / Q000737:chemistry*; D004224:Diterpenes / Q000737:chemistry* / Q000302:isolation & purification*; D007564:Japan; D008962:Models, Theoretical; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular
chemical_list: D004224:Diterpenes; C583924:roussoellol A; C583925:roussoellol B