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Information card for entry 1548119
Preview
| Coordinates | 1548119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H54 O7 |
|---|---|
| Calculated formula | C39 H54 O7 |
| SMILES | O1[C@]2(Oc3c(O)c(c4c(c3)[C@@]3([C@H](C[C@](CC3)(C=C)C)CC4)C)C)C(=C(C1=O)C)[C@H]1O[C@@]31CC[C@H]1[C@]([C@@H]3[C@H]2O)(CCCC1(C)C)C.O |
| Title of publication | Heterodimeric Diterpenoids Isolated from Euphorbia ebracteolata Roots and Their Inhibitory Effects on α-Glucosidase. |
| Authors of publication | Wei, Yunlong; Wang, Chao; Cheng, Zhongbin; Tian, Xiangge; Jia, Jingming; Cui, Yonglei; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Ma, Xiaochi |
| Journal of publication | Journal of natural products |
| Year of publication | 2017 |
| Journal volume | 80 |
| Journal issue | 12 |
| Pages of publication | 3218 - 3223 |
| a | 18.06063 ± 0.00019 Å |
| b | 9.22305 ± 0.00012 Å |
| c | 20.6152 ± 0.0002 Å |
| α | 90° |
| β | 91.6998 ± 0.0009° |
| γ | 90° |
| Cell volume | 3432.45 ± 0.07 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0288 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 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. |
1548119.cif |
| 204787 | 2018-01-06 | cif/ Updating files of 1548119 Original log message: Adding full bibliography for 1548119.cif. |
1548119.cif |
| 203367 | 2017-11-21 | cif/ Adding structures of 1548119 via cif-deposit CGI script. |
1548119.cif |
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Users of the data should acknowledge the original authors of the
structural data.