Information card for entry 1502794

Structure parameters

• Formula: C30 H48 O13
• Calculated formula: C30 H48 O13
• SMILES: O1[C@@H]2CC(=O)O[C@@]32[C@H](C1(C)C)CC[C@@H]1[C@@]2(O[C@](O)(C1=O)[C@@H]1[C@](CC2)([C@@H]1[C@H](C)[C@H](O)[C@H]1OC(=O)[C@@H](C1)C)C)[C@@H]3O.O.O.CO
• Title of publication: Nortriterpene lactones from the fruits of Schisandra arisanensis.
• Authors of publication: Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, Yi-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Hwang, Tsong-Long; Shen, Ya-Ching
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 1228 - 1233
• a: 9.1827 ± 0.0005 Å
• b: 18.1165 ± 0.0013 Å
• c: 18.6612 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3104.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0904
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No