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Information card for entry 1548122
Preview
| Coordinates | 1548122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Polystachyne H |
|---|---|
| Formula | C20 H20 O6 |
| Calculated formula | C20 H20 O6 |
| SMILES | O[C@@]12C=CC=C3[C@]1(CC[C@H]1[C@@]3(C[C@@H](OC1=O)c1ccoc1)C)COC2=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 | 7.7431 ± 0.0007 Å |
| b | 14.6879 ± 0.0014 Å |
| c | 14.9959 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1705.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0287 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1548122.cif |
| 203989 | 2017-12-05 | cif/ Updating files of 1548120, 1548121, 1548122 Original log message: Adding full bibliography for 1548120--1548122.cif. |
1548122.cif |
| 203370 | 2017-11-21 | cif/ Adding structures of 1548122 via cif-deposit CGI script. |
1548122.cif |
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Users of the data should acknowledge the original authors of the
structural data.