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Paracetamol .beta.-D-glucuronide, tetra-O-TMS
SpectraBase Compound ID J1pmI5oGOpM
InChI InChI=1S/C26H49NO8Si4/c1-18(28)27-19-14-16-20(17-15-19)30-26-24(34-38(8,9)10)22(33-37(5,6)7)21(32-36(2,3)4)23(31-26)25(29)35-39(11,12)13/h14-17,21-24,26H,1-13H3,(H,27,28)
InChIKey AKLKGRLRHAKBBH-UHFFFAOYSA-N
Mol Weight 616.0 g/mol
Molecular Formula C26H49NO8Si4
Exact Mass 615.253524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DikGro5Kin5
Name .beta.-d-Glucopyranosiduronic acid, 4-(acetylamino)phenyl 2,3,4-tris-O-(trimethylsilyl)-, trimethylsilyl ester
CAS Registry Number 72088-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H49NO8Si4
InChI InChI=1S/C26H49NO8Si4/c1-18(28)27-19-14-16-20(17-15-19)30-26-24(34-38(8,9)10)22(33-37(5,6)7)21(32-36(2,3)4)23(31-26)25(29)35-39(11,12)13/h14-17,21-24,26H,1-13H3,(H,27,28)
InChIKey AKLKGRLRHAKBBH-UHFFFAOYSA-N
Molecular Weight 616.017 g/mol
SMILES N(c1ccc(cc1)OC1C(C(C(C(C(=O)O[Si](C)(C)C)O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(C)=O
SPLASH splash10-00b9-0296000000-2641e1ab900cec634db0
Source of Spectrum W5-37959-27577-27577
Synonyms 4-(Acetylamino)phenyl trimethylsilyl 2,3,4-tris-O-(trimethylsilyl)hexopyranosiduronate 6-(4-acetamidophenoxy)-3,4,5-tris(trimethylsilyloxy)-2-oxanecarboxylic acid trimethylsilyl ester 6-(4-acetamidophenoxy)-3,4,5-tris(trimethylsilyloxy)tetrahydropyran-2-carboxylic acid trimethylsilyl ester Trimethylsilyl 6-(4-acetamidophenoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate Trimethylsilyl 6-(4-acetamidophenoxy)-3,4,5-tris(trimethylsilyloxy)tetrahydropyran-2-carboxylate
Wiley ID 1411252