Information card for entry 1511846

Structure parameters

• Formula: C35 H42 O8
• Calculated formula: C35 H42 O8
• SMILES: O=C1[C@H]2C(CCC[C@@]2(C2=CC(=O)C(=CC2=C1c1c2C(=O)C(=C3C(CCC[C@@]3(c2cc(O)c1O)C)(C)C)O)O)C)(C)C.CO
• Title of publication: (M)- and (P)-Bicelaphanol A, Dimeric Trinorditerpenes with Promising Neuroprotective Activity fromCelastrus orbiculatus
• Authors of publication: Wang, Luo-Yi; Wu, Jian; Yang, Zhuo; Wang, Xu-Jie; Fu, Yan; Liu, Shuang-Zhu; Wang, Hong-Min; Zhu, Wei-Liang; Zhang, Hai-Yan; Zhao, Wei-Min
• Journal of publication: Journal of Natural Products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 4
• Pages of publication: 745
• a: 8.4324 ± 0.0002 Å
• b: 16.6283 ± 0.0003 Å
• c: 10.8816 ± 0.0002 Å
• α: 90°
• β: 96.174 ± 0.001°
• γ: 90°
• Cell volume: 1516.93 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No