Information card for entry 1565113

Structure parameters

• Formula: C27 H36 O10
• Calculated formula: C27 H36 O10
• SMILES: O1C(=C2O[C@H]3[C@@]4(OC(=O)CC4=C([C@H]4[C@](C3)([C@@]2(C(=O)OC)[C@@H]2[C@H]1OC(=O)[C@@]2(C4)C)C)C)C(O)(C)C)C.OC
• 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: 8.323 ± 0.0001 Å
• b: 13.9278 ± 0.0002 Å
• c: 11.0616 ± 0.0002 Å
• α: 90°
• β: 104.636 ± 0.001°
• γ: 90°
• Cell volume: 1240.66 ± 0.03 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 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: 0.0356
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No