| SpectraBase Compound ID | Ajt4cYvZd4Y |
|---|---|
| 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/i12D,16D2,20D2,24D |
| InChIKey | CBVJJGRSRFXUPK-PKJFUZAFSA-N |
| Mol Weight | 464.9 g/mol |
| Molecular Formula | C30H48D6OSi |
| Exact Mass | 464.432053 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LPAutjdQf44 |
|---|---|
| Name | d6 cholesterol, 1TMS |
| Alternate Name(s) | 488577_ALDRICH, 1TMS Cholesterol-2,2,3,4,4,6-d6, 1TMS (3S,8S,9S,10R,13R,14S,17R)-2,2,3,4,4,6-hexadeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, 1TMS (((3S,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-2,2,3,4,4,6-d6)oxy)trimethylsilane |
| Comments | Derivatization type: 1 TMS (mass: 464.432); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001033; Note: The molecular formula of the structure shown is C27H46O - which differs from the formula reported for the mass spectrum (C30H48D6OSi) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48D6OSi |
| 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/i12D,16D2,20D2,24D |
| InChIKey | CBVJJGRSRFXUPK-PKJFUZAFSA-N |
| Molecular Weight | 464.883 g/mol |
| SMILES | CC(C)CCC[C@@](C)([C@]1(CC[C@]2([C@@]3(CC(=C4C([C@](C(C[C@]4(C)[C@]3(CC[C@]12C)[H])([D])[D])(O[Si](C)(C)C)[D])([D])[D])[D])[H])[H])[H])[H] |
| SPLASH | splash10-0535-2910000000-b08bbee97140856b393d |
| Source of Spectrum | FM-2019-1033-0 |
| Wiley ID | 1818692 |