Information card for entry 1545002

Structure parameters

• Formula: C30 H38 O11
• Calculated formula: C30 H38 O11
• SMILES: O(C(=O)C)[C@H]1[C@H](OC(=O)C)[C@]2([C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)C)[C@@H]3[C@@H](OC(=O)C)[C@]2(OC3(C)C)[C@@H](C1)C)C
• Title of publication: β-Dihydroagarofuran-Type Sesquiterpenes from the Seeds of Celastrus monospermus and Their Lifespan-Extending Effects on the Nematode Caenorhabditis elegans.
• Authors of publication: Gao, Lei; Zhang, Rujun; Lan, Jianfeng; Ning, Ruonan; Wu, Di; Chen, Di; Zhao, Weimin
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 12
• Pages of publication: 3039 - 3046
• a: 9.4232 ± 0.0002 Å
• b: 8.8867 ± 0.0002 Å
• c: 18.0421 ± 0.0004 Å
• α: 90°
• β: 104.356 ± 0.001°
• γ: 90°
• Cell volume: 1463.69 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0322
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No