| SpectraBase Compound ID | 1JxpaHPMTdp |
|---|---|
| InChI | InChI=1S/C33H58OSi/c1-24(2)13-11-14-26(4)30-20-21-31-27(15-12-22-33(30,31)8)17-18-28-23-29(19-16-25(28)3)34-35(9,10)32(5,6)7/h17-18,24,26,29-31H,3,11-16,19-23H2,1-2,4-10H3/b27-17+,28-18-/t26-,29?,30-,31+,33-/m1/s1 |
| InChIKey | DWIUSINKAVTSCC-HGTIXSMSSA-N |
| Mol Weight | 498.9 g/mol |
| Molecular Formula | C33H58OSi |
| Exact Mass | 498.425693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8IzWNUd9tvk |
|---|---|
| Name | Cholecalciferol DMBS II |
| Classification | Vitamin D3 side product |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 498.425693022 u |
| Formula | C33H58OSi |
| InChI | InChI=1S/C33H58OSi/c1-24(2)13-11-14-26(4)30-20-21-31-27(15-12-22-33(30,31)8)17-18-28-23-29(19-16-25(28)3)34-35(9,10)32(5,6)7/h17-18,24,26,29-31H,3,11-16,19-23H2,1-2,4-10H3/b27-17+,28-18-/t26-,29?,30-,31+,33-/m1/s1 |
| InChIKey | DWIUSINKAVTSCC-HGTIXSMSSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 498.911 g/mol |
| Nominal Mass | 498 u |
| Quality | 938 |
| Retention Index | 3329 |
| SMILES | [C@]12([C@@]([C@](CC2)([C@@](CCCC(C)C)(C)[H])[H])(CCC\C1=C\C=C\1CC(O[Si](C(C)(C)C)(C)C)CCC1=C)C)[H] |
| SPLASH | splash10-009w-2961100000-d9292553b41c027a07d0 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | tert-butyl(dimethyl)(((3Z)-4-methylidene-3-(2-((1R,3aS,4E,7aR)-7a-methyl-1-(6-methylheptan-2-yl)\roctahydro-4H-inden-4-ylidene)ethylidene)cyclohexyl)oxy)silane |
| Technique | GC/MS |
| Wiley ID | DD2024_000692 |