Cargando…
Enhancing Efficiency of Natural Product Structure Revision: Leveraging CASE and DFT over Total Synthesis
Natural products remain one of the major sources of coveted, biologically active compounds. Each isolated compound undergoes biological testing, and its structure is usually established using a set of spectroscopic techniques (NMR, MS, UV-IR, ECD, VCD, etc.). However, the number of erroneously deter...
Autores principales: | Elyashberg, Mikhail, Tyagarajan, Sriram, Mandal, Mihir, Buevich, Alexei V. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10180399/ https://www.ncbi.nlm.nih.gov/pubmed/37175206 http://dx.doi.org/10.3390/molecules28093796 |
Ejemplares similares
-
Ominoxanthone—The First Xanthone Linearly Fused to a γ-Lactone from Cortinarius ominosus Bidaud Basidiomata. CASE- and DFT-Based Structure Elucidation
por: Trac, Alice, et al.
Publicado: (2023) -
Total Synthesis and Prediction of Ulodione Natural Products Guided by DFT Calculations
por: Bestwick, Jacob S., et al.
Publicado: (2022) -
DELTA50: A Highly Accurate Database of Experimental (1)H and (13)C NMR Chemical Shifts Applied to DFT Benchmarking
por: Cohen, Ryan D., et al.
Publicado: (2023) -
Recent Achievements in Total Synthesis for Integral Structural Revisions of Marine Natural Products
por: Ha, Min Woo, et al.
Publicado: (2022) -
ACD/Structure Elucidator: 20 Years in the History of Development
por: Elyashberg, Mikhail, et al.
Publicado: (2021)