| SpectraBase Compound ID | 2grwcx78lcO |
|---|---|
| InChI | InChI=1S/C26H42O3/c1-17(12-14-25(3,4)29)21-10-11-22-20(7-6-13-26(21,22)5)9-8-19-15-23(27)18(2)24(28)16-19/h8-9,17,21-24,27-29H,2,6-7,10-16H2,1,3-5H3/b20-9+/t17-,21-,22+,23-,24-,26-/m1/s1 |
| InChIKey | JLJBOAPFTSKXIR-PXIOBPQKSA-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 | 1BvfjTCUjI |
|---|---|
| Name | 2-Methylidene-19,24-dinor-1.alpha.,25-dihydroxyvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O3 |
| InChI | InChI=1S/C26H42O3/c1-17(12-14-25(3,4)29)21-10-11-22-20(7-6-13-26(21,22)5)9-8-19-15-23(27)18(2)24(28)16-19/h8-9,17,21-24,27-29H,2,6-7,10-16H2,1,3-5H3/b20-9+/t17-,21-,22+,23-,24-,26-/m1/s1 |
| InChIKey | JLJBOAPFTSKXIR-PXIOBPQKSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 402.619 g/mol |
| Reported Formula | C26H42O3 |
| SMILES | O[C@@]1(CC(C[C@](C1=C)(O)[H])=C\C=C\1[C@]2([C@](CCC1)([C@](CC2)([C@@](CCC(O)(C)C)(C)[H])[H])C)[H])[H] |
| SPLASH | splash10-0gxa-4900200000-7c189d15b649952a0173 |
| Source of Spectrum | AF-53-5820-4a |
| Wiley ID | 1846232 |