| SpectraBase Compound ID | Eug2cta628O |
|---|---|
| InChI | InChI=1S/C33H58OSi/c1-9-10-23-35(7,8)34-30-19-16-26(4)29(24-30)18-17-28-15-12-22-33(6)31(20-21-32(28)33)27(5)14-11-13-25(2)3/h17-18,25,27,30-32H,4,9-16,19-24H2,1-3,5-8H3/b28-17+,29-18-/t27-,30?,31-,32+,33-/m1/s1 |
| InChIKey | GPULEFPQISWEDP-XXWZVKBOSA-N |
| Mol Weight | 498.9 g/mol |
| Molecular Formula | C33H58OSi |
| Exact Mass | 498.425693 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CQhPh1j1FAg |
|---|---|
| Name | Cholecalciferol DMBS IV |
| 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/c1-9-10-23-35(7,8)34-30-19-16-26(4)29(24-30)18-17-28-15-12-22-33(6)31(20-21-32(28)33)27(5)14-11-13-25(2)3/h17-18,25,27,30-32H,4,9-16,19-24H2,1-3,5-8H3/b28-17+,29-18-/t27-,30?,31-,32+,33-/m1/s1 |
| InChIKey | GPULEFPQISWEDP-XXWZVKBOSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 498.911 g/mol |
| Nominal Mass | 498 u |
| Quality | 949 |
| Retention Index | 3437 |
| SMILES | [C@]12([C@@]([C@](CC2)([C@@](CCCC(C)C)(C)[H])[H])(CCC\C1=C\C=C\1CC(O[Si](CCCC)(C)C)CCC1=C)C)[H] |
| SPLASH | splash10-0pb9-1932000000-a77854a4875689d85dcb |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 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_000687 |