| SpectraBase Compound ID | 6Ihu9p3Jouf |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-5-21(9-7-15-28)18(2)23-12-13-24-22(8-6-14-27(23,24)4)11-10-20-16-25(29)19(3)26(30)17-20/h10-11,18,21,23-26,28-30H,3,5-9,12-17H2,1-2,4H3/b22-11+/t18-,21+,23-,24+,25-,26-,27-/m1/s1 |
| InChIKey | UFMQDCNQCUYRNR-KIUATLEZSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 59rTDdSyHbu |
|---|---|
| Name | 22S-Ethyl-2-methylidene-19,26,27-trinor-1.alpha.,25-dihydroxyvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-5-21(9-7-15-28)18(2)23-12-13-24-22(8-6-14-27(23,24)4)11-10-20-16-25(29)19(3)26(30)17-20/h10-11,18,21,23-26,28-30H,3,5-9,12-17H2,1-2,4H3/b22-11+/t18-,21+,23-,24+,25-,26-,27-/m1/s1 |
| InChIKey | UFMQDCNQCUYRNR-KIUATLEZSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 416.646 g/mol |
| Reported Formula | C27H44O3 |
| SMILES | O[C@]1(C([C@@](CC(C1)=C\C=C/1CCC[C@@]2(C)[C@@]1([H])CC[C@@]2([C@](C)([C@](CCCO)(CC)[H])[H])[H])(O)[H])=C)[H] |
| SPLASH | splash10-014s-3921100000-ec890c252eccc30c7d58 |
| Source of Spectrum | AF-53-5825-5b |
| Wiley ID | 1846236 |