Information card for entry 1548121

Structure parameters

• Common name: Polystachyne G/15-epi-polystachyne G
• Formula: C20 H22 O8
• Calculated formula: C20 H22 O8
• SMILES: O1[C@@H]2[C@H]1C[C@H]1[C@@]3(C[C@H]4O[C@@H]5O[C@H](C[C@@]5([C@@H]4C)[C@H]23)C2=CC(OC2=O)O)COC1=O
• 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: 10.9433 ± 0.0012 Å
• b: 7.8994 ± 0.0009 Å
• c: 11.2708 ± 0.0017 Å
• α: 90°
• β: 118.237 ± 0.007°
• γ: 90°
• Cell volume: 858.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1919
• Residual factor for significantly intense reflections: 0.1321
• Weighted residual factors for significantly intense reflections: 0.3358
• Weighted residual factors for all reflections included in the refinement: 0.3676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No