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Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)
The title compound, C(30)H(44)O(5), is a pentacyclic triterpene isolated from the Cameroonian medicinal plant Nauclea Pobeguinii and known as quafrinoic acid. The molecule is composed of five fused six-membered rings, four of which adopt a chair conformation and one a half-chair conformation. Intr...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418801/ https://www.ncbi.nlm.nih.gov/pubmed/28529793 http://dx.doi.org/10.1107/S2056989017006077 |
Sumario: | The title compound, C(30)H(44)O(5), is a pentacyclic triterpene isolated from the Cameroonian medicinal plant Nauclea Pobeguinii and known as quafrinoic acid. The molecule is composed of five fused six-membered rings, four of which adopt a chair conformation and one a half-chair conformation. Intramolecular C—H⋯O hydrogen-bond interactions exist, which generate S6 and S8 rings. In the crystal, molecules are linked by pairs of O—H⋯O hydrogen bonds, linking R (2) (2)(8) rings into chains running parallel to the a axis; these chains are further connected into layers parallel to the ab plane by C—H⋯O hydrogen bonds. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (79.4%) and O⋯H (20.4%) interactions. |
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