Information card for entry 1501816

Structure parameters

• Common name: 7-epi-mekongensine
• Formula: C45 H51 N O20
• Calculated formula: C45 H51 N O20
• SMILES: O1[C@@H]2[C@@]([C@@]34O[C@@](C)(COC(=O)c5c(CC[C@](OC(=O)C)(C)C1=O)nccc5)[C@@H]([C@H]3OC(=O)c1ccccc1)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@]4([C@@H](OC(=O)C)[C@H]2OC(=O)C)COC(=O)C)(O)C
• Title of publication: Antiplasmodial sesquiterpene alkaloids from the roots of Maytenus mekongensis.
• Authors of publication: Lhinhatrakool, Thitima; Prabpai, Samran; Kongsaeree, Palangpon; Sutthivaiyakit, Somyote
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 1386 - 1391
• a: 10.3372 ± 0.0003 Å
• b: 16.3424 ± 0.0003 Å
• c: 13.1251 ± 0.0004 Å
• α: 90°
• β: 93.2976 ± 0.0012°
• γ: 90°
• Cell volume: 2213.61 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No