For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

raffinose, 11TMS

View entire compound with spectra: 2 MS (GC)

raffinose, 11TMS
SpectraBase Compound ID 674a9QHcL09
InChI InChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(61-72(13,14)15)44(63-74(19,20)21)46(65-76(25,26)27)49(56-39)52-34-38-41(60-71(10,11)12)45(64-75(22,23)24)47(66-77(28,29)30)50(57-38)59-51(37-55-70(7,8)9)48(67-78(31,32)33)43(62-73(16,17)18)40(58-51)36-54-69(4,5)6/h38-50H,34-37H2,1-33H3/t38-,39-,40-,41-,42+,43-,44+,45+,46-,47-,48+,49+,50-,51+/m1/s1
InChIKey HKNREENPQGOOIO-YBEBWTGXSA-N
Mol Weight 1298.4 g/mol
Molecular Formula C51H120O16Si11
Exact Mass 1296.60383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EWVdny7SC93
Name raffinose, 11TMS
Comments Derivatization type: 11 TMS (mass: 1296.604); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000315; Note: The molecular formula of the structure shown is C18H32O16 - which differs from the formula reported for the mass spectrum (C51H120O16Si11)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H120O16Si11
InChI InChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(61-72(13,14)15)44(63-74(19,20)21)46(65-76(25,26)27)49(56-39)52-34-38-41(60-71(10,11)12)45(64-75(22,23)24)47(66-77(28,29)30)50(57-38)59-51(37-55-70(7,8)9)48(67-78(31,32)33)43(62-73(16,17)18)40(58-51)36-54-69(4,5)6/h38-50H,34-37H2,1-33H3/t38-,39-,40-,41-,42+,43-,44+,45+,46-,47-,48+,49+,50-,51+/m1/s1
InChIKey HKNREENPQGOOIO-YBEBWTGXSA-N
Molecular Weight 1298.440 g/mol
SMILES C([C@@]1([C@@]([C@@]([C@]([C@@](OC[C@@]2([C@]([C@@]([C@]([C@](O2)(O[C@@]2(CO[Si](C)(C)C)[C@]([C@@]([C@@](CO[Si](C)(C)C)(O2)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])(O1)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])O[Si](C)(C)C
SPLASH splash10-0i29-0952000000-0dc95eca3168747f8623
Source of Spectrum FM-2019-315-0
Synonyms (2R,3R,4R,5S,6R)-2-[(2S,3S,4R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol, 11TMS 2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol, 11TMS (((2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5R,6R)-6-(((2S,3S,4R,5R)-3,4-bis((trimethylsilyl)oxy)-2,5-bis(((trimethylsilyl)oxy)methyl)tetrahydrofuran-2-yl)oxy)-3,4,5-tris((trimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl)tris(oxy))tris(trimethylsilane)
Wiley ID 1818002