Information card for entry 1501838

Structure parameters

• Formula: C39 H56 O15
• Calculated formula: C39 H56 O15
• SMILES: O([C@@]1(C[C@@]2(OC(=O)C)[C@H]([C@H]1OC(=O)CC)[C@@H](OC(=O)C)[C@]13[C@H](OC(=O)C)C=C[C@H](C(OC(=O)C)(C)C)[C@H]1[C@@](OC3)([C@H]2OC(=O)C(C)C)C)C)C(=O)C(C)C
• Title of publication: Bioactive myrsinol diterpenoids from the roots of Euphorbia prolifera.
• Authors of publication: Xu, Jing; Guo, Yuanqiang; Xie, Chunfeng; Li, Yushan; Gao, Jie; Zhang, Tiejun; Hou, Wenbin; Fang, Lingzhi; Gui, Liping
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 2224 - 2230
• a: 10.2388 ± 0.0005 Å
• b: 12.9739 ± 0.0008 Å
• c: 30.5211 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4054.3 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.052
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No