Information card for entry 1557272

Structure parameters

• Formula: C35 H40 O12
• Calculated formula: C35 H40 O12
• SMILES: O1[C@]23[C@H](OC(=O)C)[C@@H]([C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](OC(=O)c4cocc4)[C@]2(COC(=O)C)[C@@H](OC(=O)C)CC[C@H]3C)C1(C)C
• Title of publication: Polyesterified Sesquiterpenoids from the Seeds of <i>Celastrus paniculatus</i> as Lifespan-Extending Agents for the Nematode <i>Caenorhabditis elegans</i>.
• Authors of publication: Fu, Yifan; Zhao, Weimin
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 2
• Pages of publication: 505 - 515
• a: 8.505 ± 0.0003 Å
• b: 9.1711 ± 0.0004 Å
• c: 10.7701 ± 0.0004 Å
• α: 100.159 ± 0.001°
• β: 99.818 ± 0.001°
• γ: 90.932 ± 0.001°
• Cell volume: 813.86 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0409
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No