Information card for entry 1519685

Structure parameters

• Formula: C32 H48 O5
• Calculated formula: C32 H48 O5
• SMILES: O1C2=C(C(=O)[C@@]3(C(=O)[C@]2([C@@]([C@H](C3)CC=C(C)C)(CCC=C(C)C)C)C(=O)[C@H](CC)C)C)C[C@@H]1C(O)(C)C
• Title of publication: Hypermongones A-J, Rare Methylated Polycyclic Polyprenylated Acylphloroglucinols from the Flowers of Hypericum monogynum.
• Authors of publication: Xu, Wen-Jun; Zhu, Meng-Di; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Kong, Ling-Yi
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 5
• Pages of publication: 1093 - 1100
• a: 10.7801 ± 0.0003 Å
• b: 12.9089 ± 0.0002 Å
• c: 23.4459 ± 0.0007 Å
• α: 90°
• β: 101.782 ± 0.003°
• γ: 90°
• Cell volume: 3193.97 ± 0.14 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No