Information card for entry 1501831

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=C[C@@]23OC(=O)[C@@]4(CC[C@@]12C)[C@H]3CC(CC4)(C)C)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: 6.7903 ± 0.0006 Å
• b: 7.0914 ± 0.0005 Å
• c: 14.7228 ± 0.0013 Å
• α: 78.885 ± 0.007°
• β: 81.171 ± 0.007°
• γ: 63.15 ± 0.008°
• Cell volume: 618.86 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No