Information card for entry 1544415

Structure parameters

• Formula: C30 H48 O5
• Calculated formula: C30 H48 O5
• SMILES: O[C@H]1C(C2=C(C[C@H]3CC[C@@]4([C@H](CC[C@]4([C@@H]3CC2)C(=O)O)[C@@H](CCC(=O)C(O)(C)C)C)C)CC1)(C)C
• Title of publication: Antiviral Triterpenes from the Twigs and Leaves of Lyonia ovalifolia
• Authors of publication: Lv, Xiao-Jing; Li, Yong; Ma, Shuang-Gang; Qu, Jing; Liu, Yun-Bao; Li, Yu-Huan; Zhang, Dan; Li, Li; Yu, Shi-Shan
• Journal of publication: Journal of Natural Products
• Year of publication: 2016
• a: 11.3157 ± 0.0004 Å
• b: 38.855 ± 0.0013 Å
• c: 13.6376 ± 0.0006 Å
• α: 90°
• β: 113.036 ± 0.005°
• γ: 90°
• Cell volume: 5517.9 ± 0.4 ų
• Cell temperature: 104.7 K
• Ambient diffraction temperature: 104.7 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No