Information card for entry 1564804

Structure parameters

• Formula: C31 H48 O7
• Calculated formula: C31 H48 O7
• SMILES: CC(C)([C@H]1CC[C@]2([C@@H](CC[C@@]3(C2=Cc2c(cc(cc2O)[C@@H]([C@@H]([C@H](CC)C)OC(=O)C)C)O3)C)O1)C)O.CO
• Title of publication: Bipolaquinones A-J, Immunosuppressive Meroterpenoids from a Soil-Derived <i>Bipolaris zeicola</i>.
• Authors of publication: Liu, Mengting; Gu, Lianghu; Shen, Ling; Zhang, Xueke; Lin, Shuang; Ye, Ying; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 2427 - 2436
• a: 11.89568 ± 0.00005 Å
• b: 7.73002 ± 0.00003 Å
• c: 16.47814 ± 0.00008 Å
• α: 90°
• β: 100.404 ± 0.0004°
• γ: 90°
• Cell volume: 1490.31 ± 0.011 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0429
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No