Information card for entry 4037553

Structure parameters

• Formula: C29 H44 O2
• Calculated formula: C29 H44 O2
• SMILES: O[C@@H]1C[C@@]2([C@H](C(=C)CC[C@H]2C(C)([C@H]1O)C)CCc1c2c(ccc1C)CCC(C2)(C)C)C
• Title of publication: Ebracpenes A and B, Unusual Ring C- seco and Ring D-aromatic Nor-Triterpenoids, from Euphorbia ebracteolata and Lipase Inhibitory Evaluation.
• Authors of publication: Wang, Chao; Yan, Qingsong; Wang, Yifei; Huang, Shanshan; Ning, Jing; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Li, Dawei; Ma, Xiaochi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 3
• Pages of publication: 1624 - 1629
• a: 19.56339 ± 0.00013 Å
• b: 7.68013 ± 0.00007 Å
• c: 16.52524 ± 0.00011 Å
• α: 90°
• β: 93.4366 ± 0.0006°
• γ: 90°
• Cell volume: 2478.44 ± 0.03 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No