Information card for entry 1558882

Structure parameters

• Formula: C21 H34 O5
• Calculated formula: C21 H34 O5
• SMILES: OC(=O)[C@]1(CCC[C@]2([C@@]1(O)CCC1=C2CC[C@]([C@@H]1O)(C=C)C)C)C.OC
• Title of publication: Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.
• Authors of publication: Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 8
• Pages of publication: 2528 - 2536
• a: 7.2621 ± 0.0008 Å
• b: 12.6474 ± 0.001 Å
• c: 10.7864 ± 0.0012 Å
• α: 90°
• β: 99.188 ± 0.002°
• γ: 90°
• Cell volume: 977.98 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0904
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No