| SpectraBase Compound ID | JHKtMfaaITU |
|---|---|
| InChI | InChI=1S/C30H56OSi/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/h21-28H,9-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | HRLPEXVPNOBUDF-QYHGRWQDSA-N |
| Mol Weight | 460.9 g/mol |
| Molecular Formula | C30H56OSi |
| Exact Mass | 460.410043 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AbaP5b5MZJU |
|---|---|
| Name | 5-alpha-cholestan-3-beta-ol, 1TMS |
| Alternate Name(s) | Dihydrocholesterol, 1TMS beta-Cholestanol, 1TMS Zymostanol, 1TMS Cholestan-3beta-ol, 1TMS Dihydrocholesterin, 1TMS 3beta-Cholestanol, 1TMS (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, 1TMS (((3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)trimethylsilane |
| Comments | Derivatization type: 1 TMS (mass: 460.41); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000557; Note: The molecular formula of the structure shown is C27H48O - which differs from the formula reported for the mass spectrum (C30H56OSi) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H56OSi |
| InChI | InChI=1S/C30H56OSi/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/h21-28H,9-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | HRLPEXVPNOBUDF-QYHGRWQDSA-N |
| Molecular Weight | 460.862 g/mol |
| SMILES | CC(C)CCC[C@@](C)([C@]1(CC[C@]2([C@@]3(CC[C@]4(C[C@](CC[C@]4(C)[C@]3(CC[C@]12C)[H])(O[Si](C)(C)C)[H])[H])[H])[H])[H])[H] |
| SPLASH | splash10-0a4m-3920000000-bfd260f1d669a58c7d1a |
| Source of Spectrum | FM-2019-557-0 |
| Wiley ID | 1818238 |