| SpectraBase Compound ID | Hi068YSi6ZO |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-7-21(17-27(4,5)31)18(2)23-12-13-24-22(9-8-14-28(23,24)6)11-10-20-15-25(29)19(3)26(30)16-20/h10-11,18,21,23-26,29-31H,3,7-9,12-17H2,1-2,4-6H3/b22-11+/t18-,21+,23-,24+,25-,26-,28-/m1/s1 |
| InChIKey | YZQOCTWZVWCKEE-FNNHOJDZSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LVtbkj2iFTY |
|---|---|
| Name | 22S-Ethyl-2-methylidene-19,24-dinor-1.alpha.,25-dihydroxyvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-7-21(17-27(4,5)31)18(2)23-12-13-24-22(9-8-14-28(23,24)6)11-10-20-15-25(29)19(3)26(30)16-20/h10-11,18,21,23-26,29-31H,3,7-9,12-17H2,1-2,4-6H3/b22-11+/t18-,21+,23-,24+,25-,26-,28-/m1/s1 |
| InChIKey | YZQOCTWZVWCKEE-FNNHOJDZSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 430.673 g/mol |
| Reported Formula | C28H46O3 |
| SMILES | O[C@@]1(CC(C[C@](C1=C)(O)[H])=C\C=C\1[C@]2([C@](CCC1)([C@](CC2)([C@@]([C@](CC(C)(O)C)(CC)[H])(C)[H])[H])C)[H])[H] |
| SPLASH | splash10-000b-6900200000-742345f815692fb75218 |
| Source of Spectrum | AF-53-5822-4b |
| Wiley ID | 1846233 |