| SpectraBase Compound ID | K9ePvPYJx2B |
|---|---|
| InChI | InChI=1S/C34H58OSi/c1-24(2)25(3)14-15-27(5)31-20-21-32-28(13-12-22-34(31,32)9)17-18-29-23-30(19-16-26(29)4)35-36(10,11)33(6,7)8/h14-15,17-18,24-25,27,30-32H,4,12-13,16,19-23H2,1-3,5-11H3/b15-14+,28-17+,29-18-/t25?,27-,30?,31-,32+,34-/m1/s1 |
| InChIKey | SPHUIJWPZSWHEE-DHWNJCEVSA-N |
| Mol Weight | 510.9 g/mol |
| Molecular Formula | C34H58OSi |
| Exact Mass | 510.425693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5VpfjSQWpM0 |
|---|---|
| Name | Ergocalciferol DMBS III |
| Classification | Side product |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 510.425693022 u |
| Formula | C34H58OSi |
| InChI | InChI=1S/C34H58OSi/c1-24(2)25(3)14-15-27(5)31-20-21-32-28(13-12-22-34(31,32)9)17-18-29-23-30(19-16-26(29)4)35-36(10,11)33(6,7)8/h14-15,17-18,24-25,27,30-32H,4,12-13,16,19-23H2,1-3,5-11H3/b15-14+,28-17+,29-18-/t25?,27-,30?,31-,32+,34-/m1/s1 |
| InChIKey | SPHUIJWPZSWHEE-DHWNJCEVSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 510.922 g/mol |
| Nominal Mass | 510 u |
| Quality | 944 |
| Retention Index | 3412 |
| SMILES | [C@]12([C@@]([C@](CC2)([C@@](\C=C\C(C(C)C)C)(C)[H])[H])(CCC\C1=C\C=C\1CC(O[Si](C(C)(C)C)(C)C)CCC1=C)C)[H] |
| SPLASH | splash10-0uxr-2951000000-193d4099c86f24fe8ad1 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | tert-butyl(((3Z)-3-(2-((1R,3aS,4E,7aR)-1-((3E)-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-\rinden-4-ylidene)ethylidene)-4-methylidenecyclohexyl)oxy)dimethylsilane |
| Technique | GC/MS |
| Wiley ID | DD2024_001317 |