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Information card for entry 1548121
Preview
| Coordinates | 1548121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| 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. |
1548121.cif |
| 203989 | 2017-12-05 | cif/ Updating files of 1548120, 1548121, 1548122 Original log message: Adding full bibliography for 1548120--1548122.cif. |
1548121.cif |
| 203369 | 2017-11-21 | cif/ Adding structures of 1548121 via cif-deposit CGI script. |
1548121.cif |
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Users of the data should acknowledge the original authors of the
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