| SpectraBase Compound ID | 1w6jGYDTWsk |
|---|---|
| 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-QJMUACLXSA-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 | 1WrsINv2ZM |
|---|---|
| Name | (20S,25R)-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-QJMUACLXSA-N |
| Instrument Name | Kratos DS-50 TC |
| Ionization Type | EI |
| Molecular Weight | 402.619 g/mol |
| SMILES | O[C@@](CCC[C@@]([C@]1(CC[C@@]2([C@@]1(CCC\C2=C/C=C1C[C@](C([C@@](C1)(O)[H])=C)(O)[H])C)[H])[H])(C)[H])(C)[H] |
| SPLASH | splash10-0uy0-0942400000-b08d5b115d63a41afcd2 |
| Source of Spectrum | EP2240463A2 |
| Wiley ID | 1843946 |