Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid).

ABSTRACT: The title compound, C₃₀H₄₄O₅, is a penta-cyclic triterpene isolated from the Cameroonian medicinal plant Nauclea Pobeguinii and known as quafrinoic acid. The mol-ecule is composed of five fused six-membered rings, four of which adopt a chair conformation and one a half-chair conformation. Intra-molecular C-H⋯O hydrogen-bond inter-actions exist, which generate S6 and S8 rings. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, linking R₂²(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

SUBMITTER: Bankeu Kezetas JJ 

PROVIDER: S-EPMC5418801 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature