| SpectraBase Compound ID | 4cWA6U4iH3F |
|---|---|
| InChI | InChI=1S/C26H42O3/c1-17(7-5-8-18(2)27)22-12-13-23-21(9-6-14-26(22,23)4)11-10-20-15-24(28)19(3)25(29)16-20/h10-11,17-18,22-25,27-29H,3,5-9,12-16H2,1-2,4H3/b21-11+/t17-,18-,22+,23-,24+,25+,26+/m0/s1 |
| InChIKey | SWWBPPHPGINSED-DKOAIGLASA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C26H42O3 |
| Exact Mass | 402.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 41puKdUpTfg |
|---|---|
| Name | (20S,25S)-2-Methylene-19,26-dinor-1.alpha.,25-dihydroxyvitamin D3 |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O3 |
| InChI | InChI=1S/C26H42O3/c1-17(7-5-8-18(2)27)22-12-13-23-21(9-6-14-26(22,23)4)11-10-20-15-24(28)19(3)25(29)16-20/h10-11,17-18,22-25,27-29H,3,5-9,12-16H2,1-2,4H3/b21-11+/t17-,18-,22+,23-,24+,25+,26+/m0/s1 |
| InChIKey | SWWBPPHPGINSED-DKOAIGLASA-N |
| Instrument Name | Kratos DS-50 TC |
| Ionization Type | EI |
| Molecular Weight | 402.619 g/mol |
| SMILES | O[C@]1(C([C@@](CC(C1)=C\C=C/1CCC[C@@]2([C@](CC[C@@]12[H])([C@](CCC[C@@](O)(C)[H])(C)[H])[H])C)(O)[H])=C)[H] |
| SPLASH | splash10-0f72-4920600000-22908d964f3d680695e3 |
| Source of Spectrum | US7947666B2 |
| Wiley ID | 1861866 |