| Literature DB >> 30961366 |
Julia Borzyszkowska-Bukowska1, Paweł Szczeblewski1, Agnieszka Konkol1, Jakub Grynda1, Katarzyna Szwarc-Karabyka2, Tomasz Laskowski1.
Abstract
Herein, the stereostructure of the aromatic heptaene macrolide (AHM) antifungal antibiotic candicidin A3 (syn. ascosin A3, levorin A3) has been established upon the 2D NMR studies, consisting of DQF-COSY, TOCSY, ROESY, HSQC and HMBC experiments, as well as upon extensive molecular dynamics simulations. The geometry of the heptaenic chromophore was defined as: (22E, 24E, 26Z, 28Z, 30E, 32E, 34E). The previously unreported absolute configuration of the chiral centres of candicidin A3 was established as: (3R, 9R, 11S, 13S, 15R, 17S, 18R, 19S, 21R, 36S, 37R, 38S, 40S, 41S).Entities:
Keywords: NMR; absolute configuration; ascosin; candicidin; levorin; polyene macrolide; stereochemistry
Year: 2019 PMID： 30961366 DOI： 10.1080/14786419.2019.1596095
Source DB: PubMed Journal: Nat Prod Res ISSN： 1478-6419 Impact factor: 2.861