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Gluconic acid, 6TMS
SpectraBase Compound ID 3HRW5veP38Q
InChI InChI=1S/C24H60O7Si6/c1-32(2,3)26-19-20(27-33(4,5)6)21(28-34(7,8)9)22(29-35(10,11)12)23(30-36(13,14)15)24(25)31-37(16,17)18/h20-23H,19H2,1-18H3/t20-,21-,22+,23-/m1/s1
InChIKey IVIMVRAMMWQMHJ-BXXSPATCSA-N
Mol Weight 629.2 g/mol
Molecular Formula C24H60O7Si6
Exact Mass 628.295463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dr5SMcuff1g
Name Gluconic acid, 6TMS
Comments Derivatization type: 6 TMS (mass: 628.295); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001078; Note: The molecular formula of the structure shown is C6H12O7 - which differs from the formula reported for the mass spectrum (C24H60O7Si6)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H60O7Si6
InChI InChI=1S/C24H60O7Si6/c1-32(2,3)26-19-20(27-33(4,5)6)21(28-34(7,8)9)22(29-35(10,11)12)23(30-36(13,14)15)24(25)31-37(16,17)18/h20-23H,19H2,1-18H3/t20-,21-,22+,23-/m1/s1
InChIKey IVIMVRAMMWQMHJ-BXXSPATCSA-N
Molecular Weight 629.247 g/mol
SMILES C([C@]([C@]([C@@]([C@](C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C
SPLASH splash10-0fr2-0930000000-181f7b697b591cf8080b
Source of Spectrum FM-2019-1078-0
Synonyms dextronic acid, 6TMS D-gluconic acid, 6TMS Glosanto, 6TMS maltonic acid, 6TMS Glycogenic acid, 6TMS (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid, 6TMS Trimethylsilyl (2R,3S,4R,5R)-2,3,4,5,6-pentakis((trimethylsilyl)oxy)hexanoate
Wiley ID 1818736