Information card for entry 1557353

Structure parameters

• Formula: C30 H44 O7
• Calculated formula: C30 H44 O7
• SMILES: OC(=O)[C@@H](CC(=O)C[C@H](C1=C[C@H](O)[C@]2(C3[C@@H](O)C[C@H]4C([C@@H](O)CC[C@]4(C)C=3C(=O)C[C@]12C)(C)C)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: 8.7074 ± 0.0002 Å
• b: 11.7878 ± 0.0003 Å
• c: 26.4646 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2716.36 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No