| SpectraBase Compound ID | KMgs10barHS |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-5-6-8-22(14-16-29)19(2)24-12-13-25-23(9-7-15-28(24,25)4)11-10-21-17-26(30)20(3)27(31)18-21/h10-11,19,22,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b23-11+/t19-,22+,24-,25+,26-,27-,28-/m1/s1 |
| InChIKey | YCUJKCRUXHIWHW-AGPXJEMRSA-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 | 2m3GN4ygBbw |
|---|---|
| Name | 22S-Butyl-2-methylidene-19,25,26,27-tetranor-1.alpha.,24-dihydroxyvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-5-6-8-22(14-16-29)19(2)24-12-13-25-23(9-7-15-28(24,25)4)11-10-21-17-26(30)20(3)27(31)18-21/h10-11,19,22,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b23-11+/t19-,22+,24-,25+,26-,27-,28-/m1/s1 |
| InChIKey | YCUJKCRUXHIWHW-AGPXJEMRSA-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@](CCO)(CCCC)[H])(C)[H])[H])C)[H])[H] |
| SPLASH | splash10-014s-4920100000-cd4273b66032967af538 |
| Source of Spectrum | AF-53-5821-3c |
| Wiley ID | 1846231 |