Information card for entry 1553403

Structure parameters

• Formula: C22 H22 O8
• Calculated formula: C22 H22 O8
• SMILES: O([C@]12CC=C[C@]3(O)[C@]1(CC[C@H]1[C@@]3(C=C(OC1=O)c1ccoc1)C)COC2=O)C(=O)C
• Title of publication: Amarisolide F, an Acylated Diterpenoid Glucoside and Related Terpenoids from Salvia amarissima.
• Authors of publication: Fragoso-Serrano, Mabel; Ortiz-Pastrana, Naytzé; Luna-Cruz, Norma; Toscano, Rubén A; Alpuche-Solís, Angel G; Ortega, Alfredo; Bautista, Elihú
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 3
• Pages of publication: 631 - 635
• a: 6.9791 ± 0.0001 Å
• b: 12.6221 ± 0.0002 Å
• c: 22.9412 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2020.91 ± 0.06 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: 0.0662
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No