Information card for entry 1517374

Structure parameters

• Formula: C30 H48 O6
• Calculated formula: C30 H48 O6
• SMILES: O.O=C(O)CC[C@]12[C@]3([C@H]([C@]4([C@@]([C@@H]([C@H]5C[C@@H]([C@H](O)C(O)(C)C)OC5)CC4)(CC3)C)C)CC[C@H]1C(=C)C)C2
• Title of publication: Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus.
• Authors of publication: Wang, Hongmin; Ning, Ruonan; Shen, Yu; Chen, Zhenhua; Li, Jinlong; Zhang, Rujun; Leng, Ying; Zhao, Weimin
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 8
• Pages of publication: 1910
• a: 7.6982 ± 0.0012 Å
• b: 19.44 ± 0.003 Å
• c: 21.085 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3155.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1459
• Residual factor for significantly intense reflections: 0.1279
• Weighted residual factors for significantly intense reflections: 0.3179
• Weighted residual factors for all reflections included in the refinement: 0.3386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.407
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No