Information card for entry 7153339

Structure parameters

• Formula: C31 H50 O5
• Calculated formula: C31 H50 O5
• SMILES: O[C@@H]1CC[C@]2([C@H](C1(C)C)CC=C1[C@H]2CC[C@]23O[C@@]4(OC(=O)[C@@H](C4)C)C[C@H]([C@@]3(CC[C@@]12C)C)C)C.OC
• Title of publication: Abiesatrines A-J: anti-inflammatory and antitumor triterpenoids from Abies georgei Orr.
• Authors of publication: Yang, Xian-Wen; Li, Su-Mei; Wu, Liang; Li, Yong-Li; Feng, Lin; Shen, Yun-Heng; Tian, Jun-Mian; Tang, Jian; Wang, Ning; Liu, Yonghong; Zhang, Wei-Dong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 2609 - 2616
• a: 8.165 ± 0.015 Å
• b: 13.02 ± 0.03 Å
• c: 26.83 ± 0.06 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2852 ± 11 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: 0.2828
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No