Information card for entry 1503687

Structure parameters

• Formula: C30 H46 O4
• Calculated formula: C30 H46 O4
• SMILES: O=C1CC[C@]2([C@H](C1(C)C)CCC1=C2CC[C@]2([C@]1(CC[C@]2(O)[C@H](C)C[C@H]1OC(=O)[C@@H](C1)C)C)C)C
• Title of publication: Terpenoid constituents of Abies chensiensis with potential anti-inflammatory activity.
• Authors of publication: Li, Yong-Li; Yang, Xian-Wen; Li, Su-Mei; Shen, Yun-Heng; Zeng, Hua-Wu; Liu, Xiao-Hua; Tang, Jian; Zhang, Wei-Dong
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 6
• Pages of publication: 1065 - 1068
• a: 7.222 ± 0.003 Å
• b: 15.037 ± 0.007 Å
• c: 24.038 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2610 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0875
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No