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L-gulonic acid gamma-lactone, 4TMS
SpectraBase Compound ID 31l1OU3OPR
InChI InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15+,16-,17-/m0/s1
InChIKey FTOCXQVQZOFUDF-YVSFHVDLSA-N
Mol Weight 466.9 g/mol
Molecular Formula C18H42O6Si4
Exact Mass 466.205845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58eYMINuurb
Name L-gulonic acid gamma-lactone, 4TMS
Comments Derivatization type: 4 TMS (mass: 466.206); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000221; Note: The molecular formula of the structure shown is C6H10O6 - which differs from the formula reported for the mass spectrum (C18H42O6Si4)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H42O6Si4
InChI InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15+,16-,17-/m0/s1
InChIKey FTOCXQVQZOFUDF-YVSFHVDLSA-N
Molecular Weight 466.868 g/mol
SMILES C([C@@]([C@@]1([C@@]([C@@](C(=O)O1)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C
SPLASH splash10-0fr2-0930000000-de0851b0a06f169e2f28
Source of Spectrum FM-2019-221-0
Synonyms L-Gulonolactone, 4TMS (3S,4S,5R)-5-((S)-2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctan-4-yl)-3,4-bis((trimethylsilyl)oxy)dihydrofuran-2(3H)-one
Wiley ID 1817911