Information card for entry 1552576

Structure parameters

• Common name: Euphoscopoid E
• Chemical name: Euphoscopoid E
• Formula: C31 H40 O7
• Calculated formula: C31 H40 O7
• SMILES: O(C(=O)C)[C@]12[C@H](OC(=O)C)[C@@H](/C=C/C(C(=O)CC/C(=C/[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@H](C1)C)C)(C)C)C
• Title of publication: Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.
• Authors of publication: Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 10
• Pages of publication: 2818 - 2827
• a: 9.1038 ± 0.0001 Å
• b: 11.6255 ± 0.0001 Å
• c: 13.5058 ± 0.0001 Å
• α: 90°
• β: 89.859 ± 0.001°
• γ: 90°
• Cell volume: 1429.4 ± 0.02 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0323
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No