Information card for entry 1501830

Structure parameters

• Formula: C30 H46 O3
• Calculated formula: C30 H46 O3
• SMILES: O[C@@H]1CC[C@]2([C@H](C1(C)C)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: 11.1004 ± 0.0002 Å
• b: 12.7518 ± 0.0003 Å
• c: 20.9205 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2961.3 ± 0.1 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: 0.0616
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No