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SORBOSE, PENTA-TMS-ETHER
SpectraBase Compound ID HjQfQbPGKNd
InChI InChI=1S/C21H52O6Si5/c1-28(2,3)23-16-18(22)20(26-31(10,11)12)21(27-32(13,14)15)19(25-30(7,8)9)17-24-29(4,5)6/h19-21H,16-17H2,1-15H3/t19-,20+,21+/m0/s1
InChIKey LDUCAYFXHYLHLP-PWRODBHTSA-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 K965RFOUjn6
Name sorbose, 5TMS
Comments Derivatization type: 5 TMS (mass: 540.261); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000357; 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)23-16-18(22)20(26-31(10,11)12)21(27-32(13,14)15)19(25-30(7,8)9)17-24-29(4,5)6/h19-21H,16-17H2,1-15H3/t19-,20+,21+/m0/s1
InChIKey LDUCAYFXHYLHLP-PWRODBHTSA-N
Molecular Weight 541.066 g/mol
SMILES C([C@@]([C@]([C@@](C(CO[Si](C)(C)C)=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 splash10-0udi-0920000000-1f19b48d29928c78a7de
Source of Spectrum FM-2019-357-0
Synonyms L-sorbose, 5TMS Sorbinose, 5TMS Esorben, 5TMS Sorbin, 5TMS L-Sorbinose, 5TMS (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one, 5TMS (6S,7R,8S)-2,2,11,11-tetramethyl-6,7,8-tris((trimethylsilyl)oxy)-3,10-dioxa-2,11-disiladodecan-5-one
Wiley ID 1818044