Information card for entry 1519756

Structure parameters

• Formula: C30 H42 O5
• Calculated formula: C30 H42 O5
• SMILES: O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@]12C(=O)CC[C@@]2(C1=C[C@H]1O[C@]3(OC(=O)C(=C3)C)C[C@H]([C@@]21C)C)C)C
• Title of publication: Spirochensilides A and B, Two New Rearranged Triterpenoids from Abies chensiensis.
• Authors of publication: Zhao, Qian-Qian; Song, Qiu-Yan; Jiang, Kan; Li, Guang-Da; Wei, Wen-Jun; Li, Ya; Gao, Kun
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2760 - 2763
• a: 7.3312 ± 0.0004 Å
• b: 12.6193 ± 0.0006 Å
• c: 14.4778 ± 0.0008 Å
• α: 90°
• β: 98.847 ± 0.005°
• γ: 90°
• Cell volume: 1323.47 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0838
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No