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CATECHOLIC-DOBUTAMINE-META-O-GLUCURONIDE;FRACTION-III

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CATECHOLIC-DOBUTAMINE-META-O-GLUCURONIDE;FRACTION-III
SpectraBase Compound ID Krk4gmHuEBu
InChI InChI=1S/2C24H31NO9/c2*1-13(2-3-14-4-7-16(26)8-5-14)25-11-10-15-6-9-17(27)18(12-15)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h2*4-9,12-13,19-22,24-30H,2-3,10-11H2,1H3,(H,31,32)/t2*13?,19-,20-,21+,22-,24+/m11/s1
InChIKey LIQIZIGJPSWZML-OQLOSASCSA-N
Mol Weight 955.02 g/mol
Molecular Formula C48H62N2O18
Exact Mass 954.399763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75kJJSJHjnU
Name CATECHOLIC-DOBUTAMINE-META-O-GLUCURONIDE;FRACTION-III
Compound Number D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H62N2O18
InChI InChI=1S/2C24H31NO9/c2*1-13(2-3-14-4-7-16(26)8-5-14)25-11-10-15-6-9-17(27)18(12-15)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h2*4-9,12-13,19-22,24-30H,2-3,10-11H2,1H3,(H,31,32)/t2*13?,19-,20-,21+,22-,24+/m11/s1
InChIKey LIQIZIGJPSWZML-OQLOSASCSA-N
Literature Reference Author A.ALONEN,O.AITIO,K.HAKALA,L.LUUKKANEN,M.FINEL,R.KOSTIAINEN
Literature Reference Citation DRUG.MET.DISP.,33,657(2005)
Literature Reference DOI 10.1124/dmd.104.002139
Molecular Weight 955.023 g/mol
Source File Reference UWLU74256