LIÊN KẾT WEBSITE
Structural determination of new metabolites from the sea snail Turbo chrysostomus by NMR and DFT calculation
Journal of Molecular Structure Số , năm 2022 (Tập 1270, trang -)
ISSN: 222860
ISSN: 222860
DOI:
Tài liệu thuộc danh mục:
Article
English
Từ khóa: Bacteria; Molluscs; Nuclear magnetic resonance spectroscopy; Quantum chemistry; Anti-microbial activity; DFT calculation; Indole; Natural products; NMR experiments; Sea snail; Spectral data; Structural determination; Trisaccharide; Turbo chrysostomus; Metabolites
Tóm tắt tiếng anh
Two new trisaccharides, chrysostosides A and B (1‒2), and a new natural product, chrysostorine (3), together with six known compounds (4‒9) were isolated from the sea snail Turbo chrysostomus. Their structures were elucidated based on interpretation of NMR and HRESIMS data and by comparison of the spectral data with those reported in the literature. The relative configurations of 1 and 2, and the structure of 3 were deduced from 2D NMR experiments and quantum chemical calculations, including the computed JH,H coupling constants, 1H and 13C NMR chemical shifts with DP4+ predictions. All isolated compounds were evaluated for their antimicrobial activity. Among them, compound 4 showed moderate activity against Enterococcus faecalis and Staphylococcus aureus with MIC value of 32 μg/mL. © 2022
