Information card for entry 1566296

Structure parameters

• Formula: C28 H44 O7
• Calculated formula: C28 H44 O7
• SMILES: O1[C@@H]([C@H](O)[C@H](OC(=O)C=C(C)C)[C@@H](OC(=O)C)[C@@H]1O[C@@]1([C@@H]2[C@@H]([C@@H](CC2)C)[C@@H]2C(C)([C@@H]2CC1)C)C)C
• Title of publication: Structurally Diverse Sesquiterpenoid Glycoside Esters from <i>Pittosporum qinlingense</i> with Anti-neuroinflammatory Activity.
• Authors of publication: Zhang, Xiuyun; Liu, Yao; Deng, Jili; Xia, Jiankai; Zhang, Qiang; Chen, Xin; Liu, Runze; Gao, Yuqi; Gao, Jin-Ming
• Journal of publication: Journal of natural products
• Year of publication: 2022
• Journal volume: 85
• Journal issue: 1
• Pages of publication: 115 - 126
• a: 11.6684 ± 0.0004 Å
• b: 8.063 ± 0.0003 Å
• c: 29.5996 ± 0.001 Å
• α: 90°
• β: 98.518 ± 0.002°
• γ: 90°
• Cell volume: 2754.08 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0349
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No