Spectroscopic data for the total synthesis of brevianamide S

# Spectroscopic data for the total synthesis of brevianamide S

Data is grouped in appropriately named folders according to the compound it relates to. FID folders are named for the NMR experiment. A folder named “HMBC” would therefore be the FID for a HMBC spectrum. For compounds that are reported in more than one solvent, the solvent is also included in the folder name. The FID folders can be processed and interpreted using MestReNova or TopSpin. Primary IR data is recorded in .txt or .tsv files in folders named “IR”. These files contain x and y coordinates, which can be plotted to display the IR spectra.
, The first total synthesis of the alkaloid brevianamide S has been achieved in eight steps. This natural product, isolated from Aspergillus versicolor, exhibits selective antibacterial activity against Bacille Calmette-Guérin (BCG), a commonly used surrogate for Mycobacterium tuberculosis. Brevianamide S is proposed to act through a novel, yet-to-be-elucidated mechanism, making it a promising lead in the development of next-generation antitubercular agents. Our approach employs a bidirectional synthetic strategy, involving a bespoke alkenyl-alkenyl Stille cross-coupling reaction and a double aldol condensation. This represents a flexible and efficient platform for the future synthesis of structurally diverse analogues., ,