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6-OH-octanoyl glucuronide TMS derivative
SpectraBase Compound ID 5vVu3etMGo
InChI InChI=1S/C29H64O9Si5/c1-17-22(34-39(2,3)4)20-18-19-21-23(30)32-29-27(37-42(11,12)13)25(36-41(8,9)10)24(35-40(5,6)7)26(33-29)28(31)38-43(14,15)16/h22,24-27,29H,17-21H2,1-16H3/t22?,24-,25+,26?,27+,29+/m0/s1
InChIKey WUISRBKZEOMSFA-LBXJPZBVSA-N
Mol Weight 697.2 g/mol
Molecular Formula C29H64O9Si5
Exact Mass 696.339666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pZCDqeCWrL
Name 6-OH-octanoyl glucuronide TMS derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H64O9Si5
InChI InChI=1S/C29H64O9Si5/c1-17-22(34-39(2,3)4)20-18-19-21-23(30)32-29-27(37-42(11,12)13)25(36-41(8,9)10)24(35-40(5,6)7)26(33-29)28(31)38-43(14,15)16/h22,24-27,29H,17-21H2,1-16H3/t22?,24-,25+,26?,27+,29+/m0/s1
InChIKey WUISRBKZEOMSFA-LBXJPZBVSA-N
Molecular Weight 697.247 g/mol
SMILES [C@]1([C@]([C@@](O[Si](C)(C)C)([C@@](OC1C(O[Si](C)(C)C)=O)(OC(=O)CCCCC(O[Si](C)(C)C)CC)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H]
SPLASH splash10-066s-2496000000-b98f6e31af57c6ce60db
Source of Spectrum O-31-633-0
Synonyms Trimethylsilyl 2,3,4-tris-O-(trimethylsilyl)-1-O-{6-[(trimethylsilyl)oxy]octanoyl}-.beta.-D-ribo-hexopyranuronate
Wiley ID 1414921