Information card for entry 1508273

Structure parameters

• Formula: C27 H32 O8
• Calculated formula: C27 H32 O8
• SMILES: C1(=O)[C@@H]2C(=O)C([C@H]([C@H](C(=O)OC)O)[C@]1([C@@H]1C(=C3[C@@](CC1)([C@H](c1cocc1)OC(=O)C3)C)C2)C)(C)C
• Title of publication: Moluccensins R-Y, Limonoids from the Seeds of a Mangrove, Xylocarpus moluccensis.
• Authors of publication: Li, Jun; Li, Min-Yi; Feng, Gang; Zhang, Jing; Karonen, Maarit; Sinkkonen, Jari; Satyanandamurty, Tirumani; Wu, Jun
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 7
• Pages of publication: 1277 - 1283
• a: 10.6167 ± 0.0002 Å
• b: 10.7288 ± 0.0002 Å
• c: 21.4811 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2446.79 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No