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IRISOLIDONE-7-O-BETA-D-GLUCURONIDE

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IRISOLIDONE-7-O-BETA-D-GLUCURONIDE
SpectraBase Compound ID BFD48YGKjP
InChI InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)11-8-33-12-7-13(20(32-2)16(25)14(12)15(11)24)34-23-19(28)17(26)18(27)21(35-23)22(29)30/h3-8,17-19,21,23,25-28H,1-2H3,(H,29,30)/t17-,18-,19+,21-,23+/m1/s1
InChIKey IOKMQETVPIUDOP-RQZVMEALSA-N
Mol Weight 490.42 g/mol
Molecular Formula C23H22O12
Exact Mass 490.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1NffaUsGTly
Name IRISOLIDONE-7-O-BETA-D-GLUCURONIDE
Compound Number M-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22O12
InChI InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)11-8-33-12-7-13(20(32-2)16(25)14(12)15(11)24)34-23-19(28)17(26)18(27)21(35-23)22(29)30/h3-8,17-19,21,23,25-28H,1-2H3,(H,29,30)/t17-,18-,19+,21-,23+/m1/s1
InChIKey IOKMQETVPIUDOP-RQZVMEALSA-N
Literature Reference Author X.BAI,Y.XIE,J.LIU,J.QU,Y.KANO,D.YUAN
Literature Reference Citation DRUG.MET.DISP.,38,281(2010)
Literature Reference DOI 10.1124/dmd.109.028555
Molecular Weight 490.420 g/mol
Source File Reference UWLU74068