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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)

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SpectraBase Spectrum ID Lh1sGIucVO6
Name (((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)
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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
Literature Reference DOI 10.1016/j.chroma.2017.01.001
Molecular Weight 1298.440 g/mol
SMILES [C@@]1([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O1)(O[C@]1([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])CO[Si](C)(C)C)[H])[H])[H])[H])(CO[C@@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])[H]
SPLASH splash10-044i-4985200000-c138b8c9f58b0ff793b2
Source of Spectrum L.Ruiz-Aceituno, et al. Journal of Chromatography A, 1484, 58-64
Wiley ID 1816267