Information card for entry 1557704

Structure parameters

• Formula: C40 H44 O13
• Calculated formula: C40 H44 O13
• SMILES: O(C(=O)c1ccccc1)[C@H]1C(=C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)C)C(=O)C(/C=C/[C@@H](C(=O)[C@]2(OC(=O)C)[C@@H]1[C@@H](OC(=O)C)[C@](O)(C2)C)C)(C)C
• Title of publication: Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.
• Authors of publication: Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 4
• Pages of publication: 1005 - 1017
• a: 11.5632 ± 0.0001 Å
• b: 16.5034 ± 0.0001 Å
• c: 18.9525 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3616.75 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No