| SpectraBase Compound ID | YoSQcbPRRB |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21+,24-,25-,26+,27+,28-/m1/s1 |
| InChIKey | MBUIFNPNESWHQQ-LGKYDQOKSA-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 | IBCD4Jgk1tH |
|---|---|
| Name | 22S-Butyl-1.alpha.,24-dihydroxy-24,25,26-trinorvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21+,24-,25-,26+,27+,28-/m1/s1 |
| InChIKey | MBUIFNPNESWHQQ-LGKYDQOKSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm8014348 |
| Molecular Weight | 430.673 g/mol |
| Reported Formula | C28H46O3 |
| SMILES | O[C@@]1(C\C(=C\C=C/2CCC[C@@]3([C@@]([C@@]([C@](CCO)(CCCC)[H])(C)[H])(CC[C@@]23[H])[H])C)C([C@](C1)(O)[H])=C)[H] |
| SPLASH | splash10-0a59-9500000000-cd47cae22fef8e538217 |
| Source of Spectrum | AF-52-1446-4 |
| Wiley ID | 1873726 |