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QUERCETIN-3-O-(6''-N-BUTYL-GLUCURONIDE)
SpectraBase Compound ID 8GnZ8UDujmH
InChI InChI=1S/C25H26O13/c1-2-3-6-35-24(34)23-19(32)18(31)20(33)25(38-23)37-22-17(30)16-14(29)8-11(26)9-15(16)36-21(22)10-4-5-12(27)13(28)7-10/h4-5,7-9,18-20,23,25-29,31-33H,2-3,6H2,1H3/t18-,19-,20+,23-,25+/m0/s1
InChIKey INCAPNMMVMDQPT-PNRYVWDLSA-N
Mol Weight 534.47 g/mol
Molecular Formula C25H26O13
Exact Mass 534.137341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7urPO23TEfv
Name QUERCETIN-3-O-(6''-N-BUTYL-GLUCURONIDE)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26O13
InChI InChI=1S/C25H26O13/c1-2-3-6-35-24(34)23-19(32)18(31)20(33)25(38-23)37-22-17(30)16-14(29)8-11(26)9-15(16)36-21(22)10-4-5-12(27)13(28)7-10/h4-5,7-9,18-20,23,25-29,31-33H,2-3,6H2,1H3/t18-,19-,20+,23-,25+/m0/s1
InChIKey INCAPNMMVMDQPT-PNRYVWDLSA-N
Literature Reference Author T.NAKANISHI,Y.INATOMI,H.MURATA,S.S.ISHIDA,Y.FUJINO,K.MIURA,Y .YASUNO,A.INADA,F.A.
Literature Reference Citation CHEM.PHARM.BULL.,55,334(2007)
Literature Reference DOI 10.1248/cpb.55.334
Molecular Weight 534.474 g/mol
Sample ID 55451
Solvent CDCl3