Information card for entry 1552751

Structure parameters

• Formula: C25 H41 N O2
• Calculated formula: C25 H41 N O2
• SMILES: O[C@]12CC[C@]34[C@]5(CC[C@H](NC)C(C)([C@@H]5CC[C@H]4[C@]1(C)CC(=O)[C@H](C2)CC)C)C3
• Title of publication: Buxaustroines A-N, a Series of 17(13→ 18)<i>abeo</i>-Cycloartenol Triterpenoidal Alkaloids from <i>Buxus austro-yunnanensis</i> and Their Cardioprotective Activities.
• Authors of publication: Xiang, Zhi-Nan; Yi, Wen-Qin; Wang, Yong-Long; Shao, Li-Dong; Zhang, Cheng-Qi; Yuan, Yan; Pan, Jun; Wan, Luo-Sheng; Chen, Jia-Chun
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 11
• Pages of publication: 3111 - 3120
• a: 7.77446 ± 0.00008 Å
• b: 13.53787 ± 0.00011 Å
• c: 20.2762 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2134.06 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No