| SpectraBase Compound ID | EzsjmNVJo8w |
|---|---|
| InChI | InChI=1S/C31H52O3/c1-7-8-10-24(18-29(33)20(2)3)21(4)27-14-15-28-23(11-9-16-31(27,28)6)12-13-25-17-26(32)19-30(34)22(25)5/h12-13,20-21,24,26-30,32-34H,5,7-11,14-19H2,1-4,6H3/b23-12+,25-13-/t21-,24-,26-,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | CJFXAKUNOBKWSJ-ATZUXSORSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C31H52O3 |
| Exact Mass | 472.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BW1coomjeTm |
|---|---|
| Name | (1.alpha.,22R,24S)-22-Butyl-1,24-dihydroxyvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O3 |
| InChI | InChI=1S/C31H52O3/c1-7-8-10-24(18-29(33)20(2)3)21(4)27-14-15-28-23(11-9-16-31(27,28)6)12-13-25-17-26(32)19-30(34)22(25)5/h12-13,20-21,24,26-30,32-34H,5,7-11,14-19H2,1-4,6H3/b23-12+,25-13-/t21-,24-,26-,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | CJFXAKUNOBKWSJ-ATZUXSORSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm8014348 |
| Molecular Weight | 472.754 g/mol |
| Reported Formula | C31H52O3 |
| SMILES | O[C@]1(C[C@@](C(\C(=C/C=C/2[C@@]3(CC[C@]([C@@]([C@@](C[C@@](C(C)C)(O)[H])(CCCC)[H])(C)[H])([C@]3(CCC2)C)[H])[H])C1)=C)(O)[H])[H] |
| SPLASH | splash10-0a59-9800200000-ac2cbd585db25ddceb3c |
| Source of Spectrum | AF-52-1447-8 |
| Wiley ID | 1873730 |