Information card for entry 1504464

Structure parameters

• Formula: C36 H60 O10
• Calculated formula: C36 H62 O11
• SMILES: O1[C@@H](OC([C@@H](O)CC[C@H]([C@@H]2[C@@]3([C@]([C@H]4C(=CC3)C[C@]35O[C@H]4C[C@H]3C([C@H](O)C[C@@H]5O)(C)C)(CC2)C)C)C)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.O
• Title of publication: Cycloartane glycosides from Sutherlandia frutescens.
• Authors of publication: Fu, Xiang; Li, Xing-Cong; Smillie, Troy J.; Carvalho, Paulo; Mabusela, Wilfred; Syce, James; Johnson, Quinton; Folk, William; Avery, Mitchell A.; Khan, Ikhlas A.
• Journal of publication: Journal of natural products
• Year of publication: 2008
• Journal volume: 71
• Journal issue: 10
• Pages of publication: 1749 - 1753
• a: 13.4595 ± 0.0002 Å
• b: 6.7872 ± 0.0001 Å
• c: 20.1461 ± 0.0003 Å
• α: 90°
• β: 104.785 ± 0.001°
• γ: 90°
• Cell volume: 1779.46 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0669
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No