Information card for entry 1504450

Structure parameters

• Formula: C47 H55 Br O10
• Calculated formula: C47 H55 Br O10
• SMILES: O([C@H]1[C@@]2(OC[C@](OC)(C2)C)OC(=O)[C@@H]1[C@H]1[C@]2(C(=CC1)[C@]1([C@@H]([C@]3(CC=C4[C@@]([C@@H]3C[C@H]1O)(CO[C@H](c1cc3c(OCO3)cc1)C4)C)C)CC2)C)C)C(=O)c1ccc(cc1)Br
• Title of publication: Dichapetalin-type triterpenoids and lignans from the aerial parts of Phyllanthus acutissima.
• Authors of publication: Tuchinda, Patoomratana; Kornsakulkarn, Jittra; Pohmakotr, Manat; Kongsaeree, Palangpon; Prabpai, Samran; Yoosook, Chalobon; Kasisit, Jitra; Napaswad, Chanita; Sophasan, Samaisukh; Reutrakul, Vichai
• Journal of publication: Journal of natural products
• Year of publication: 2008
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 655 - 663
• a: 10.1863 ± 0.0005 Å
• b: 14.2352 ± 0.001 Å
• c: 14.5801 ± 0.0008 Å
• α: 90°
• β: 97.652 ± 0.004°
• γ: 90°
• Cell volume: 2095.3 ± 0.2 ų
• Cell temperature: 298 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: 0.0611
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No