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Pertrimethylsilylated suprofen glucuronide
SpectraBase Compound ID 3aeZUCzO14H
InChI InChI=1S/C32H52O9SSi4/c1-21(22-16-14-17-23(20-22)25(33)24-18-15-19-42-24)30(34)37-32-29(40-45(8,9)10)27(39-44(5,6)7)26(38-43(2,3)4)28(36-32)31(35)41-46(11,12)13/h14-21,26-29,32H,1-13H3
InChIKey NICKBEHDPSLQPJ-UHFFFAOYSA-N
Mol Weight 725.2 g/mol
Molecular Formula C32H52O9SSi4
Exact Mass 724.240911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59kjCgKf42b
Name Pertrimethylsilylated suprofen glucuronide
Alternate Name(s) Trimethylsilyl 1-O-{2-[3-(2-thienylcarbonyl)phenyl]propanoyl}-2,3,4-tris-O-(trimethylsilyl)hexopyranuronate [2'',3'',4'',6''-tetrakis(trimethylsilyl)glucopyranos-1''-O-acyl]4-[(dipropylamino)sulfonyl]benzoate
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Formula C32H52O9SSi4
InChI InChI=1S/C32H52O9SSi4/c1-21(22-16-14-17-23(20-22)25(33)24-18-15-19-42-24)30(34)37-32-29(40-45(8,9)10)27(39-44(5,6)7)26(38-43(2,3)4)28(36-32)31(35)41-46(11,12)13/h14-21,26-29,32H,1-13H3
InChIKey NICKBEHDPSLQPJ-UHFFFAOYSA-N
Molecular Weight 725.159 g/mol
SMILES C1(C(C(O[Si](C)(C)C)C(OC1C(O[Si](C)(C)C)=O)OC(C(c1cc(C(c2sccc2)=O)ccc1)C)=O)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-014l-0090000000-1cafbc8a38404d41d3e7
Source of Spectrum KO-17-99-15
Wiley ID 1415727