Information card for entry 4037554

Structure parameters

• Formula: C29 H44 O2
• Calculated formula: C29 H44 O2
• SMILES: O[C@@H]1C[C@@]2([C@@H](CCc3c4c(ccc3C)CCC(C4)(C)C)C(=CC[C@H]2C([C@H]1O)(C)C)C)C
• Title of publication: Ebracpenes A and B, Unusual Ring C- seco and Ring D-aromatic Nor-Triterpenoids, from Euphorbia ebracteolata and Lipase Inhibitory Evaluation.
• Authors of publication: Wang, Chao; Yan, Qingsong; Wang, Yifei; Huang, Shanshan; Ning, Jing; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Li, Dawei; Ma, Xiaochi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 3
• Pages of publication: 1624 - 1629
• a: 8.79462 ± 0.00016 Å
• b: 14.7893 ± 0.0002 Å
• c: 19.5287 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2540.03 ± 0.07 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: 0.0484
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No