Information card for entry 1503703

Structure parameters

• Formula: C35 H44 O11
• Calculated formula: C35 H44 O11
• SMILES: [C@]12([C@@]3([C@H]([C@]([C@H](CC(=O)OC)[C@]1([C@@H]1C(=C4[C@@](CC1)([C@H](c1cocc1)OC(=O)C4)C)C3=O)C)(C)C2)OC(=O)C(C)C)O)OC(=O)C(C)C
• Title of publication: Moluccensins A-G, phragmalins with a conjugated C-30 carbonyl group from a Krishna mangrove, Xylocarpus moluccensis.
• Authors of publication: Li, Min-Yi; Yang, Sheng-Xin; Pan, Jian-Yu; Xiao, Qiang; Satyanandamurty, Tirumani; Wu, Jun
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1657 - 1662
• a: 8.8804 ± 0.0004 Å
• b: 16.4376 ± 0.0008 Å
• c: 22.1252 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3229.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No