| SpectraBase Compound ID | Ltz7BLwOUkd |
|---|---|
| InChI | InChI=1S/C25H42O3/c1-17(7-4-5-14-26)21-11-12-22-20(8-6-13-25(21,22)3)10-9-19-15-23(27)18(2)24(28)16-19/h9-10,17-18,21-24,26-28H,4-8,11-16H2,1-3H3/b19-9-,20-10+/t17-,18-,21+,22-,23+,24+,25+/m0/s1 |
| InChIKey | YZIQNNXLWCGZKG-ZALBFBNKSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C25H42O3 |
| Exact Mass | 390.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9ngSbaXDRGK |
|---|---|
| Name | (20S)-2.alpha.-methyl-19,26,27-trinor-1.alpha.,25-dihydroxycalciferol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O3 |
| InChI | InChI=1S/C25H42O3/c1-17(7-4-5-14-26)21-11-12-22-20(8-6-13-25(21,22)3)10-9-19-15-23(27)18(2)24(28)16-19/h9-10,17-18,21-24,26-28H,4-8,11-16H2,1-3H3/b19-9-,20-10+/t17-,18-,21+,22-,23+,24+,25+/m0/s1 |
| InChIKey | YZIQNNXLWCGZKG-ZALBFBNKSA-N |
| Ionization Type | EI |
| Molecular Weight | 390.608 g/mol |
| SMILES | OCCCC[C@@]([C@@]1([C@@]2([C@](\C(=C\C=C\3C[C@]([C@]([C@@](C3)(O)[H])(C)[H])(O)[H])CCC2)(CC1)[H])C)[H])(C)[H] |
| SPLASH | splash10-000m-4968000000-86988d41a37abcf918d9 |
| Source of Spectrum | US8030295B2 |
| Wiley ID | 1844472 |