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altrose, 5TMS
SpectraBase Compound ID 5pto1LwFUqR
InChI InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)20(26-31(10,11)12)18(16-22)24-29(4,5)6/h16,18-21H,17H2,1-15H3/t18-,19-,20+,21-/m1/s1
InChIKey PPTMWEDTYQRQBC-MXEMCNAFSA-N
Mol Weight 541.1 g/mol
Molecular Formula C21H52O6Si5
Exact Mass 540.261022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FykFsaP7Bh
Name altrose, 5TMS
Comments Derivatization type: 5 TMS (mass: 540.261); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000583; Note: The molecular formula of the structure shown is C6H12O6 - which differs from the formula reported for the mass spectrum (C21H52O6Si5)
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Formula C21H52O6Si5
InChI InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)20(26-31(10,11)12)18(16-22)24-29(4,5)6/h16,18-21H,17H2,1-15H3/t18-,19-,20+,21-/m1/s1
InChIKey PPTMWEDTYQRQBC-MXEMCNAFSA-N
Molecular Weight 541.066 g/mol
SMILES C([C@]([C@@]([C@@]([C@@](CO[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
SPLASH splash10-00kb-1910000000-a937b716f080b0c5f16c
Source of Spectrum FM-2019-583-0
Synonyms D-Altrose, 5TMS D-Altro-hexose, 5TMS D-Alt, 5TMS CHEBI:28385, 5TMS AIDS166729, 5TMS AIDS-166729, 5TMS (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal, 5TMS (2S,3R,4R,5R)-2,3,4,5,6-pentakis((trimethylsilyl)oxy)hexanal
Wiley ID 1818264