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METHYL-[2,3,4-TRI-O-ACETYL-1-O-[3,4-DIHYDRO-2(1H)-ISOQINOLINE-CARBOXAMIDOXIME]-BETA-D-GLUCOPYRANOSYL]-URONATE
SpectraBase Compound ID Bf8NZPmSlgv
InChI InChI=1S/C23H29N3O10/c1-12(27)32-17-18(33-13(2)28)20(34-14(3)29)22(35-19(17)21(30)31-4)36-25-23(24)26-10-9-15-7-5-6-8-16(15)11-26/h5-8,17-20,22H,9-11H2,1-4H3,(H2,24,25)/t17-,18-,19-,20+,22-/m1/s1
InChIKey SRTSURMDEFBREH-MMXRJIGESA-N
Mol Weight 507.5 g/mol
Molecular Formula C23H29N3O10
Exact Mass 507.185294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ei9sSXJN41
Name METHYL-[2,3,4-TRI-O-ACETYL-1-O-[3,4-DIHYDRO-2(1H)-ISOQINOLINE-CARBOXAMIDOXIME]-BETA-D-GLUCOPYRANOSYL]-URONATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H29N3O10
InChI InChI=1S/C23H29N3O10/c1-12(27)32-17-18(33-13(2)28)20(34-14(3)29)22(35-19(17)21(30)31-4)36-25-23(24)26-10-9-15-7-5-6-8-16(15)11-26/h5-8,17-20,22H,9-11H2,1-4H3,(H2,24,25)/t17-,18-,19-,20+,22-/m1/s1
InChIKey SRTSURMDEFBREH-MMXRJIGESA-N
Literature Reference Author A.K.FROEHLICH,U.GIRRESER,B.CLEMENT
Literature Reference Citation DRUG.MET.DISP.,33,1532(2005)
Literature Reference DOI 10.1124/dmd.105.004572
Molecular Weight 507.497 g/mol
Source File Reference UWLU74249