| SpectraBase Compound ID | 3w9T6NazFiG |
|---|---|
| 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+/m0/s1 |
| InChIKey | MBUIFNPNESWHQQ-LZGZZAKVSA-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 | 7S374qFEPPP |
|---|---|
| Name | 20S,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+/m0/s1 |
| InChIKey | MBUIFNPNESWHQQ-LZGZZAKVSA-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/C=C/2[C@@]3(CC[C@]([C@]([C@](CCO)(CCCC)[H])(C)[H])([C@]3(CCC2)C)[H])[H])C1)=C)(O)[H])[H] |
| SPLASH | splash10-0a59-9500000000-86ee0a6cacf05f0b78f8 |
| Source of Spectrum | AF-52-1446-5 |
| Wiley ID | 1873727 |