Information card for entry 1544723

Structure parameters

• Formula: C39 H46.5 O12.25
• Calculated formula: C38 H44 O12
• SMILES: O=C(O[C@@H]1[C@H]2[C@@H](O)[C@](OC(=O)C)(C[C@]2(O)C(=O)[C@H](/C=C/C([C@H](OC(=O)C)[C@H](O)[C@@H](OC(=O)c2ccccc2)C1=C)(C)C)C)C)c1ccccc1
• Title of publication: Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity.
• Authors of publication: Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 11
• Pages of publication: 2873
• a: 41.529 ± 0.0014 Å
• b: 8.6149 ± 0.0003 Å
• c: 11.037 ± 0.007 Å
• α: 90°
• β: 100.788 ± 0.007°
• γ: 90°
• Cell volume: 3879 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No