| SpectraBase Compound ID | IW2Ahrr7rnJ |
|---|---|
| InChI | InChI=1S/C30H52OSi/c1-22(2)11-9-12-24(4)28-18-19-29-25(13-10-20-30(28,29)5)15-16-26-21-27(17-14-23(26)3)31-32(6,7)8/h15-16,22,24,27-29H,3,9-14,17-21H2,1-2,4-8H3/b25-15+,26-16-/t24-,27+,28-,29+,30-/m1/s1 |
| InChIKey | GWVMYANKBNXDQN-GKMBOFBPSA-N |
| Mol Weight | 456.8 g/mol |
| Molecular Formula | C30H52OSi |
| Exact Mass | 456.378743 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LgBowakoXvV |
|---|---|
| Name | Cholecalciferol TMS II |
| Classification | Vitamin D3 side product |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 456.378742828 u |
| Formula | C30H52OSi |
| InChI | InChI=1S/C30H52OSi/c1-22(2)11-9-12-24(4)28-18-19-29-25(13-10-20-30(28,29)5)15-16-26-21-27(17-14-23(26)3)31-32(6,7)8/h15-16,22,24,27-29H,3,9-14,17-21H2,1-2,4-8H3/b25-15+,26-16-/t24-,27+,28-,29+,30-/m1/s1 |
| InChIKey | GWVMYANKBNXDQN-GKMBOFBPSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 456.830 g/mol |
| Nominal Mass | 456 u |
| Quality | 924 |
| Retention Index | 3059 |
| SMILES | [C@]12([C@](\C(=C\C=C/3C(CC[C@@](C3)(O[Si](C)(C)C)[H])=C)CCC1)(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0aou-1910000000-f233ae686b55d2cd805a |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | trimethyl(((1S,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_000695 |