Information card for entry 1552579

Structure parameters

• Common name: euphorbiapene D
• Chemical name: euphorbiapene D
• Formula: C42 H52 O8
• Calculated formula: C42 H52 O8
• SMILES: O([C@H]1[C@@H](C[C@@]2(OC(=O)C)[C@H]1/C=C(/[C@H](OC(=O)c1ccccc1)CC(=O)C(/C=C/[C@H](C2=O)C)(C)C)C)C)C(=O)c1ccccc1.C1CCCCC1
• 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: 10.0038 ± 0.0002 Å
• b: 16.8028 ± 0.0003 Å
• c: 11.5827 ± 0.0002 Å
• α: 90°
• β: 101.17 ± 0.002°
• γ: 90°
• Cell volume: 1910.08 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No