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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...

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Detalles Bibliográficos
Autores principales: Bankeu Kezetas, Jean Jules, Dietagoum Madjouka, Stéphanie, Kumar, Rajesh, Ali, Muhammad Shaiq, Lenta Njakou, Bruno, Yousuf, Sammer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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
Descripción
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.