Information card for entry 1565112

Structure parameters

• Formula: C27 H36 O11
• Calculated formula: C27 H36 O11
• SMILES: O1[C@@H]2OC(=O)[C@]3([C@@H]2[C@@]2(C(=O)OC)[C@@](O[C@H]4[C@@H]5O[C@@]5(C(=C([C@H](C3)[C@@]24C)C)CC(=O)OC)C(O)(C)C)(O)[C@@H]1C)C
• Title of publication: Talaromynoids A-I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities.
• Authors of publication: Huang, Zhong-Hui; Liang, Xiao; Li, Chan-Juan; Gu, Qiong; Ma, Xuan; Qi, Shu-Hua
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 10
• Pages of publication: 2727 - 2737
• a: 12.2213 ± 0.0003 Å
• b: 13.16 ± 0.0003 Å
• c: 16.3151 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2624 ± 0.1 ų
• Cell temperature: 99.9 ± 0.7 K
• Ambient diffraction temperature: 99.9 ± 0.7 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No