| SpectraBase Compound ID | EyPVBd3Ts7z |
|---|---|
| InChI | InChI=1S/C24H35BrO3/c1-16-6-9-20(26)13-19(16)8-7-18-5-4-12-24(3)21(10-11-22(18)24)17(2)15-28-23(27)14-25/h7-8,17,20-22,26H,1,4-6,9-15H2,2-3H3/b18-7+,19-8-/t17-,20+,21-,22+,24-/m1/s1 |
| InChIKey | HZDZLOAWXHMZSL-KDWHCGHPSA-N |
| Mol Weight | 451.4 g/mol |
| Molecular Formula | C24H35BrO3 |
| Exact Mass | 450.176958 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Oe7yJWBQas |
|---|---|
| Name | 22-Broinoacetoxy-omopregnacalciferol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H35BrO3 |
| InChI | InChI=1S/C24H35BrO3/c1-16-6-9-20(26)13-19(16)8-7-18-5-4-12-24(3)21(10-11-22(18)24)17(2)15-28-23(27)14-25/h7-8,17,20-22,26H,1,4-6,9-15H2,2-3H3/b18-7+,19-8-/t17-,20+,21-,22+,24-/m1/s1 |
| InChIKey | HZDZLOAWXHMZSL-KDWHCGHPSA-N |
| Instrument Name | Micromass AutoSpec |
| Ionization Type | EI |
| Molecular Weight | 451.445 g/mol |
| SMILES | O[C@]1(CCC(\C(=C/C=C/2[C@]3([C@](CCC2)([C@](CC3)([C@](C)(COC(CBr)=O)[H])[H])C)[H])C1)=C)[H] |
| SPLASH | splash10-000i-0900200000-0b93db5e79d0bce5355d |
| Source of Spectrum | WO2012065050A1 |
| Wiley ID | 1845401 |