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Docosanoic acid, 13-[[2,3,4,6-tetrakis-O-(trimethylsilyl)-D-glucopyranosyl]oxy]-
SpectraBase Compound ID 1ePkUWsx1Xa
InChI InChI=1S/C40H86O8Si4/c1-14-15-16-17-21-24-27-30-34(31-28-25-22-19-18-20-23-26-29-32-36(41)42)44-40-39(48-52(11,12)13)38(47-51(8,9)10)37(46-50(5,6)7)35(45-40)33-43-49(2,3)4/h34-35,37-40H,14-33H2,1-13H3,(H,41,42)/t34?,35-,37-,38+,39-,40?/m1/s1
InChIKey IRRSMKBRKYUQML-YKDMMRCZSA-N
Mol Weight 807.5 g/mol
Molecular Formula C40H86O8Si4
Exact Mass 806.539976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQuwyvAJ2Ui
Name Docosanoic acid, 13-[[2,3,4,6-tetrakis-O-(trimethylsilyl)-D-glucopyranosyl]oxy]-
Alternate Name(s) 13-Glucopyranosyloxydocosanoic acid tetra-TMS 13-{[2,3,4,6-tetrakis-O-(trimethylsilyl)-D-glucopyranosyl]oxy}docosanoic acid
CAS Registry Number 56728-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H86O8Si4
InChI InChI=1S/C40H86O8Si4/c1-14-15-16-17-21-24-27-30-34(31-28-25-22-19-18-20-23-26-29-32-36(41)42)44-40-39(48-52(11,12)13)38(47-51(8,9)10)37(46-50(5,6)7)35(45-40)33-43-49(2,3)4/h34-35,37-40H,14-33H2,1-13H3,(H,41,42)/t34?,35-,37-,38+,39-,40?/m1/s1
InChIKey IRRSMKBRKYUQML-YKDMMRCZSA-N
Molecular Weight 807.460 g/mol
SMILES OC(CCCCCCCCCCCC(OC1[C@@]([C@]([C@@]([C@](O1)(CO[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])CCCCCCCCC)=O
SPLASH splash10-0udi-0090000000-9ceaccb120a34c8a6fd2
Source of Spectrum EP-6289-0-0
Wiley ID 1417229