Information card for entry 1512275

Structure parameters

• Formula: C30 H46 O5
• Calculated formula: C30 H46 O5
• SMILES: C1(=O)C[C@@H](C)[C@H](C)[C@H]2C3=C[C@H]([C@@H]4[C@@]5(C)[C@@H](CC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)O1)O)O
• Title of publication: Antitrypanosomal Triterpenoid with an ε-Lactone E-Ring from Salvia urmiensis.
• Authors of publication: Moridi Farimani, Mahdi; Nejad Ebrahimi, Samad; Salehi, Peyman; Bahadori, Mir Babak; Sonboli, Ali; Khavasi, Hamid Reza; Zimmermann, Stefanie; Kaiser, Marcel; Hamburger, Matthias
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 9
• Pages of publication: 1806 - 1809
• a: 10.1613 ± 0.0019 Å
• b: 12.298 ± 0.002 Å
• c: 20.717 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2588.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0913
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No