Information card for entry 1514180

Structure parameters

• Formula: C34 H52 O5
• Calculated formula: C34 H52 O5
• SMILES: O=C(O[C@H]1C[C@H](OC1(C)C)[C@H]([C@@H]1[C@]2(CC=C3[C@]4(CC[C@H](OC(=O)C)C([C@@H]4CC=C3[C@@]2(CC1)C)(C)C)C)C)C)C
• Title of publication: Hepatoprotective Effects of Triterpenoids from Ganoderma cochlear.
• Authors of publication: Peng, Xing-Rong; Liu, Jie-Qing; Wang, Cui-Fang; Li, Xu-Yang; Shu, Yi; Zhou, Lin; Qiu, Ming-Hua
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 737 - 743
• a: 6.9978 ± 0.0003 Å
• b: 11.1764 ± 0.0005 Å
• c: 20.4376 ± 0.0009 Å
• α: 90°
• β: 98.054 ± 0.002°
• γ: 90°
• Cell volume: 1582.66 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No