Information card for entry 1557352

Structure parameters

• Formula: C30 H44 O8
• Calculated formula: C30 H44 O8
• SMILES: O[C@@H]1C2=C([C@]3(CC[C@H](O)C([C@@H]3C1)(C)C)C)C(=O)C[C@]1([C@@]2(C)C(=O)C[C@@H]1[C@@H](CC(=O)[C@H](O)[C@H](C(=O)O)C)C)C
• Title of publication: NMR-based Structural Classification, Identification, and Quantification of Triterpenoids from Edible Mushroom Ganoderma resinaceum.
• Authors of publication: Huang, Yanjie; Li, Xian; Peng, Xing-Rong; Adegoke, Adelakum Tiwalade; Chen, Jian-Chao; Su, Hai-Guo; Hu, Gui-Lin; Wei, Gang; Qiu, Ming-Hua
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2020
• a: 37.059 ± 0.002 Å
• b: 6.5105 ± 0.0004 Å
• c: 12.0031 ± 0.0007 Å
• α: 90°
• β: 104.561 ± 0.003°
• γ: 90°
• Cell volume: 2803 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1112
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2843
• Weighted residual factors for all reflections included in the refinement: 0.3028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No