Computational chemistry driven solution to rubriflordilactone B
The structure of rubriflordilactone B (2) was determined by X-ray crystallography. However, the NMR data of the synthetic sample did not match those reported for 2. It was then suggested that the original sample contained an additional isomer of different solubility, pseudorubriflordilactone B...
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| Autores principales: | , , |
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| Formato: | article artículo publishedVersion |
| Lenguaje: | Inglés |
| Publicado: |
American Chemical Society
2018
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| Materias: | |
| Acceso en línea: | http://hdl.handle.net/2133/10492 http://hdl.handle.net/2133/10492 |
| Aporte de: |
| Sumario: | The structure of rubriflordilactone B (2) was
determined by X-ray crystallography. However, the NMR data
of the synthetic sample did not match those reported for 2. It
was then suggested that the original sample contained an
additional isomer of different solubility, pseudorubriflordilactone
B (3), whose structure remained unknown. From
theoretical calculations, reexamination of the NMR data, and
biogenetic considerations, it is proposed that 3 should be the 16S,17R isomer of 2. |
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