Information card for entry 1501847

Structure parameters

• Formula: C31 H46 O5
• Calculated formula: C31 H46 O5
• SMILES: C1CC(=O)C([C@@H]2CC=C3[C@@H]([C@@]12C)CC[C@@]1([C@@]3(CC[C@H]1[C@@H](C(=O)OC)CC(=O)[C@H]1C(C)(C)O1)C)C)(C)C
• Title of publication: Tirucallane-type triterpenoids from Dysoxylum lenticellatum.
• Authors of publication: Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 2235 - 2242
• a: 7.299 ± 0.005 Å
• b: 16.568 ± 0.012 Å
• c: 23.238 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2810 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1234
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No