Information card for entry 1501829

Structure parameters

• Formula: C30 H46 O4
• Calculated formula: C30 H46 O4
• SMILES: O[C@@H]1CC[C@]2([C@H]([C@]1(C)CO)CC[C@@]1([C@@H]2C=CC2=C3[C@@](CC[C@@]12C)(CCC(C3)(C)C)C(=O)O)C)C
• Title of publication: Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.
• Authors of publication: Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 8
• Pages of publication: 1744 - 1750
• a: 8.0495 ± 0.0003 Å
• b: 17.7248 ± 0.0006 Å
• c: 19.2463 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2745.98 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No