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Information card for entry 7062076
Preview
| Coordinates | 7062076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 18-hydroxylypsilanogenin |
|---|---|
| Chemical name | (23R,24S)-5α-cholest-16β,23-epoxy-23,24-(β-D-fucopyranose-2,1-di-O-yl)-3β,18-diol-6-one |
| Formula | C34 H58 O11 |
| Calculated formula | C34 H58 O11 |
| SMILES | O1[C@H](C)[C@H](O)[C@H](O)[C@H]2O[C@@]3(O[C@H]4C[C@H]5[C@H]6[C@@H]([C@]7(CC[C@H](O)C[C@@H]7C(=O)C6)C)CC[C@]5(CO)[C@H]4[C@H](C)C3)[C@@H](O[C@H]12)C(C)C.OC.O |
| Title of publication | Isolation, structural elucidation, and bioactivity of cholestane derivatives from Ypsilandra thibetica |
| Authors of publication | Xie, Jing; Zhang, Shi-Juan; Yue, Grace Gar-Lee; Yu, Ling-Ling; Liu, Hui; Ma, Wen-Yi; Yan, Huan; Ni, Wei; Lau, Clara Bik-San; Liu, Hai-Yang |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2023 |
| Journal volume | 47 |
| Journal issue | 1 |
| Pages of publication | 324 - 332 |
| a | 12.0479 ± 0.0003 Å |
| b | 7.6358 ± 0.0002 Å |
| c | 17.988 ± 0.0005 Å |
| α | 90° |
| β | 94.955 ± 0.001° |
| γ | 90° |
| Cell volume | 1648.63 ± 0.08 Å3 |
| 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 | 0.0289 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.0731 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281493 (current) | 2023-03-04 | cif/ Updating files of 7062074, 7062075, 7062076 Original log message: Adding full bibliography for 7062074--7062076.cif. |
7062076.cif |
| 279343 | 2022-11-17 | cif/ Adding structures of 7062074, 7062075, 7062076 via cif-deposit CGI script. |
7062076.cif |
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