Information card for entry 1553398

Structure parameters

• Common name: EUD15
• Chemical name: EUD15
• Formula: C36 H48 O9
• Calculated formula: C36 H48 O9
• SMILES: O([C@H]1[C@H](/C=C/C([C@H](OC(=O)C)C[C@@H](OC(=O)C(=C\C)\C)/C(=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C[C@]12O)C)C)(C)C)C)C(=O)C
• Title of publication: Diterpenoids from Euphorbia dulcis with Potassium Ion Channel Inhibitory Activity with Selective G Protein-Activated Inwardly Rectifying Ion Channel (GIRK) Blocking Effect.
• Authors of publication: Kúsz, Norbert; Orvos, Péter; Bereczki, Laura; Fertey, Pierre; Bombicz, Petra; Csorba, Attila; Tálosi, László; Jakab, Gusztáv; Hohmann, Judit; Rédei, Dóra
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 11
• Pages of publication: 2483 - 2492
• a: 14.1355 ± 0.0004 Å
• b: 18.3034 ± 0.0004 Å
• c: 20.5777 ± 0.0006 Å
• α: 90°
• β: 97.024 ± 0.003°
• γ: 90°
• Cell volume: 5284.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7999 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No