Information card for entry 1566283

Structure parameters

• Formula: C33 H40 O14
• Calculated formula: C33 H40 O14
• SMILES: O([C@H]1CC(=C2C(=O)c3c(O)c(c(cc3O[C@]2([C@H]1O)C)C)c1c(O)c2c(O[C@@]3(C(=C(O)C[C@H](OC)[C@@H]3O)C2=O)C)cc1C)O)C.O.OC
• Title of publication: Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.
• Authors of publication: Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao
• Journal of publication: Journal of natural products
• Year of publication: 2022
• Journal volume: 85
• Journal issue: 1
• Pages of publication: 148 - 161
• a: 7.2806 ± 0.0002 Å
• b: 9.8268 ± 0.0003 Å
• c: 11.0309 ± 0.0003 Å
• α: 85.062 ± 0.002°
• β: 88.911 ± 0.002°
• γ: 86.614 ± 0.002°
• Cell volume: 784.83 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0423
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No