Information card for entry 1548120

Structure parameters

• Common name: salvifiline A /15-epi-salvifiline A
• Formula: C20 H22 O7
• Calculated formula: C20 H22 O7
• SMILES: O1[C@@H]2C[C@@]34[C@H](CC=C[C@H]3[C@]3([C@@H]2C)C[C@@H](O[C@@H]13)C1=CC(OC1=O)O)C(=O)OC4
• Title of publication: neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.
• Authors of publication: Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 3003 - 3009
• a: 10.9006 ± 0.0006 Å
• b: 7.8767 ± 0.0005 Å
• c: 11.1971 ± 0.0006 Å
• α: 90°
• β: 118.648 ± 0.002°
• γ: 90°
• Cell volume: 843.7 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0321
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No