TY - JOUR TI - Vagiallene, a Rearranged C 15 Acetogenin from Laurencia obtusa AU - Perdikaris, S. AU - Mangoni, A. AU - Grauso, L. AU - Papazafiri, P. AU - Roussis, V. AU - Ioannou, E. JO - Organic Letters PY - 2019 VL - 21 TODO - 9 SP - 3183-3186 PB - American Chemical Society SN - 1523-7060, 1523-7052 TODO - 10.1021/acs.orglett.9b00897 TODO - acetogenin; antineoplastic agent; plant extract, cell survival; chemical structure; chemistry; conformation; drug effect; human; isolation and purification; isomerism; Laurencia; molecular dynamics; quantum theory; thermodynamics; tumor cell line, Acetogenins; Antineoplastic Agents; Cell Line, Tumor; Cell Survival; Humans; Isomerism; Laurencia; Molecular Conformation; Molecular Dynamics Simulation; Molecular Structure; Plant Extracts; Quantum Theory; Thermodynamics TODO - Vagiallene (1), a rearranged C 15 acetogenin with a molecular formula and a carbon skeleton unprecedented in natural products, was isolated as a trace constituent from the organic extract of the red alga Laurencia obtusa from Lefkada island. The planar structure and the relative configuration of 1 were established on the basis of extensive analysis of its spectroscopic data, while its absolute configuration was determined by comparison of its experimental and quantum-mechanically predicted electronic circular dichroism spectra. © 2019 American Chemical Society. ER -