Information card for entry 1503464

Structure parameters

• Common name: Asperolide A
• Formula: C16 H16 O5
• Calculated formula: C16 H16 O5
• SMILES: O=C1OCC2=C[C@@H]3OC(=O)[C@@]4(C=C[C@H](O)[C@]([C@H]34)(C2=C1)C)C
• Title of publication: Asperolides A-C, Tetranorlabdane Diterpenoids from the Marine Alga-Derived Endophytic Fungus Aspergillus wentii EN-48.
• Authors of publication: Sun, Hao-Fen; Li, Xiao-Ming; Meng, Li; Cui, Chuan-Ming; Gao, Shu-Shan; Li, Chun-Shun; Huang, Cai-Guo; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 148 - 152
• a: 17.48 ± 0.04 Å
• b: 7.99 ± 0.018 Å
• c: 12.93 ± 0.03 Å
• α: 90°
• β: 132.34 ± 0.03°
• γ: 90°
• Cell volume: 1335 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2362
• Weighted residual factors for all reflections included in the refinement: 0.2889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No