Information card for entry 1506868

Structure parameters

• Formula: C37 H62 O8
• Calculated formula: C37 H62 O8
• SMILES: O=C1CC[C@@H]2C(=CC[C@@H]3[C@]2(CC[C@]2([C@]3(CC[C@@H]2[C@H](C)[C@H](OC(=O)C)C[C@@H](OC(=O)C)C(O)(C)C)C)CO)C)C1(C)C.OC(C)C
• Title of publication: Cucurbitane triterpenoids from Leucopaxillus gentianeus.
• Authors of publication: Clericuzio, Marco; Mella, Mariella; Vita-Finzi, Paola; Zema, Michele; Vidari, Giovanni
• Journal of publication: Journal of natural products
• Year of publication: 2004
• Journal volume: 67
• Journal issue: 11
• Pages of publication: 1823 - 1828
• a: 15.189 ± 0.005 Å
• b: 7.53 ± 0.003 Å
• c: 15.593 ± 0.005 Å
• α: 90°
• β: 95.72 ± 0.03°
• γ: 90°
• Cell volume: 1774.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.218
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No