| SpectraBase Compound ID | GWdJI8THAee |
|---|---|
| InChI | InChI=1S/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22-,24?,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | CBVJJGRSRFXUPK-HBOBSPHKSA-N |
| Mol Weight | 458.8 g/mol |
| Molecular Formula | C30H54OSi |
| Exact Mass | 458.394393 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IXum3Z7CqRN |
|---|---|
| Name | Cholesterol, 1TMS |
| Alternate Name(s) | Cholesterin, 1TMS Cordulan, 1TMS Dusoline, 1TMS Dusoran, 1TMS Provitamin D, 1TMS (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, 1TMS (((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)trimethylsilane |
| Comments | Derivatization type: 1 TMS (mass: 458.394); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000364; Note: The molecular formula of the structure shown is C27H46O - which differs from the formula reported for the mass spectrum (C30H54OSi) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H54OSi |
| InChI | InChI=1S/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22-,24?,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | CBVJJGRSRFXUPK-HBOBSPHKSA-N |
| Molecular Weight | 458.846 g/mol |
| SMILES | C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)O[Si](C)(C)C |
| SPLASH | splash10-056v-2900000000-7557e67b6bbd266fafbf |
| Source of Spectrum | FM-2019-364-0 |
| Wiley ID | 1818051 |