Information card for entry 1502810

Structure parameters

• Formula: C27 H36 O10
• Calculated formula: C27 H36 O10
• SMILES: C1(=O)[C@@]2([C@@H]3C([C@H](CC(=O)OC)[C@]1([C@@H]1[C@]([C@]4([C@@](CC1)([C@H](c1cocc1)OC(=O)C4)C)O)(C2)O3)C)(C)C)O.O
• Title of publication: Xylorumphiins A-D, mexicanolide limonoids from the seed kernels of Xylocarpus rumphii.
• Authors of publication: Sarigaputi, Chanin; Nuanyai, Thanesuan; Teerawatananond, Thapong; Pengpreecha, Somchai; Muangsin, Nongnuj; Pudhom, Khanitha
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 8
• Pages of publication: 1456 - 1459
• a: 10.0323 ± 0.0004 Å
• b: 10.9812 ± 0.0005 Å
• c: 22.4456 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2472.76 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 1013.25 kPa
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No