Information card for entry 1502838

Structure parameters

• Formula: C29 H40 O10
• Calculated formula: C29 H40 O10
• SMILES: O1[C@@H]2CC(=O)O[C@@]32[C@H](C1(C)C)CC[C@@H]1[C@@]2(OC(C1=O)=C[C@@H]1[C@@](O[C@@H]([C@H]1C)[C@H]1OC(=O)[C@@H](C1)C)(CC2)C)[C@@H]3O.O
• Title of publication: Arisandilactone A, a new triterpenoid from the fruits of Schisandra arisanensis.
• Authors of publication: Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, I-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Shen, Ya-Ching
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1016 - 1019
• a: 10.4314 ± 0.0007 Å
• b: 15.4544 ± 0.0012 Å
• c: 17.8219 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2873.1 ± 0.4 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: 0.2458
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No