64274-28-8
Chemical Structure
Aucubigenin
- CAS No.: 64274-28-8
- Formula:C9H12O4
- Molecular Weight:184.19
IUPAC Name: (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol
InChIKey: BACWCXKATFIVFS-JQCXWYLXSA-N
SMILES: O[C@H]1[C@@]2([H])[C@@]([C@H](O)C=C2CO)([H])C=CO1
Biological Activity: Aucubigenin, the aglycone of the iridoid glycoside aucubin, has been characterized through X-ray diffraction analysis. Its crystal structure reveals monoclinic symmetry with specific conformations adopted by its cyclopentane and pyran rings. The study also determined the absolute configurations of both aucubin and aucubigenin. Significant O-H O hydrogen bonding interactions were observed in the crystal lattices of both compounds, highlighting their structural stability and potential for intermolecular interactions[1].
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Aucubigenin | Aucubigenin, the aglycone of the iridoid glycoside aucubin, has been characterized through X-ray diffraction analysis. Its crystal structure reveals monoclinic symmetry with specific conformations adopted by its cyclopentane and pyran rings. The study also determined the absolute configurations of both aucubin and aucubigenin. Significant O-H O hydrogen bonding interactions were observed in the crystal lattices of both compounds, highlighting their structural stability and potential for intermolecular interactions. | |||||||||||||||||||||
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Keywords
