Information card for entry 1553349

Structure parameters

• Formula: C26 H30 O9
• Calculated formula: C26 H30 O9
• SMILES: O=C1CC[C@]2([C@@]34O[C@H]4C(=C)[C@@]4([C@@H]([C@]3(C(=O)C(=C2C1(C)C)O)C)C(=O)O[C@](C(=O)OC)(C4=O)C)C)C
• Title of publication: BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.
• Authors of publication: Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 9
• Pages of publication: 1937 - 1945
• a: 18.2722 ± 0.0007 Å
• b: 8.8097 ± 0.0004 Å
• c: 30.3644 ± 0.0012 Å
• α: 90°
• β: 106.554 ± 0.002°
• γ: 90°
• Cell volume: 4685.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No