Information card for entry 7230113

Structure parameters

• Common name: (16R)-12-O-β-D-glucopyranosyl-11,14,16, 19-tetrahydroxy-17(15\ρightarrow16),18(4\ρightarrow3)-diabeo-abieta-3(4),8(9),11(12),13(14)-tetraene-7-one
• Chemical name: szemaoenoid c
• Formula: C26 H36 O11
• Calculated formula: C26 H36 O11.25
• SMILES: C[C@@H](O)Cc1c(O)c2C(=O)C[C@H]3C(=C(C)CC[C@]3(C)c2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO.O
• Title of publication: Isolation, identification and bioactivities of abietane diterpenoids from Premna szemaoensis
• Authors of publication: Pu, De-Bing; Wang, Ting; Zhang, Xing-Jie; Gao, Jun-Bo; Zhang, Rui-Han; Li, Xiao-Nian; Wang, Yong-Mei; Li, Xiao-Li; Wang, He-Yao; Xiao, Wei-Lie
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 6425
• a: 17.5477 ± 0.0006 Å
• b: 21.7199 ± 0.0007 Å
• c: 33.3592 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12714.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No