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2-keto-L-gulonic acid, 5TMS
SpectraBase Compound ID J2zgKOWCYWR
InChI InChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)18(22)21(23)28-33(13,14)15/h17,19-20H,16H2,1-15H3/t17-,19+,20+/m0/s1
InChIKey MEGWTTBMNKDSPY-DFQSSKMNSA-N
Mol Weight 555.0 g/mol
Molecular Formula C21H50O7Si5
Exact Mass 554.240287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5otxNFT9dDr
Name 2-keto-L-gulonic acid, 5TMS
Comments Derivatization type: 5 TMS (mass: 554.24); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000266; Note: The molecular formula of the structure shown is C6H10O7 - which differs from the formula reported for the mass spectrum (C21H50O7Si5)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H50O7Si5
InChI InChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)18(22)21(23)28-33(13,14)15/h17,19-20H,16H2,1-15H3/t17-,19+,20+/m0/s1
InChIKey MEGWTTBMNKDSPY-DFQSSKMNSA-N
Molecular Weight 555.049 g/mol
SMILES C([C@@]([C@]([C@@](C(C(O[Si](C)(C)C)=O)=O)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C
SPLASH splash10-0udj-0920000000-31c755f154900bc17c49
Source of Spectrum FM-2019-266-0
Synonyms L-sorbosonic acid, 5TMS L-Xylohexulosonic acid, 5TMS 2-Oxo-l-gulonic acid, 5TMS 2-Keto-L-gulonic acid, 5TMS 3-keto-L-Gulonic acid, 5TMS L-xylo-2-Hexulosonic acid, 5TMS (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid, 5TMS Trimethylsilyl (3S,4R,5S)-2-oxo-3,4,5,6-tetrakis((trimethylsilyl)oxy)hexanoate
Wiley ID 1817955