| SpectraBase Compound ID | 9yJaSje0ERO |
|---|---|
| InChI | InChI=1S/C31H52O3/c1-7-8-10-24(16-18-30(4,5)34)21(2)26-14-15-27-25(11-9-17-31(26,27)6)13-12-23-19-28(32)22(3)29(33)20-23/h12-13,21,24,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b25-13+/t21-,24+,26-,27+,28-,29-,31-/m1/s1 |
| InChIKey | RSXHMKSDJHHTDU-VWOHJUMJSA-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 | CzIKPsoOIoq |
|---|---|
| Name | 22S-Butyl-2-methylidene-19-nor-1.alpha.,25-dihydroxyvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O3 |
| InChI | InChI=1S/C31H52O3/c1-7-8-10-24(16-18-30(4,5)34)21(2)26-14-15-27-25(11-9-17-31(26,27)6)13-12-23-19-28(32)22(3)29(33)20-23/h12-13,21,24,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b25-13+/t21-,24+,26-,27+,28-,29-,31-/m1/s1 |
| InChIKey | RSXHMKSDJHHTDU-VWOHJUMJSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 472.754 g/mol |
| Reported Formula | C31H52O3 |
| SMILES | OC(CC[C@@]([C@]([C@]1(CC[C@@]2([C@@]1(CCC\C2=C/C=C1C[C@](C([C@@](C1)(O)[H])=C)(O)[H])C)[H])[H])(C)[H])(CCCC)[H])(C)C |
| SPLASH | splash10-014r-5900100000-afca7b9f04b1f9f1d835 |
| Source of Spectrum | AF-53-5824-6c |
| Wiley ID | 1846239 |