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O-DESMETHYL-5-GLUCURONIC-ACID-ATEVIRDINE

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O-DESMETHYL-5-GLUCURONIC-ACID-ATEVIRDINE
SpectraBase Compound ID 8yx649cyoQ1
InChI InChI=1S/C26H31N5O8/c1-2-27-17-4-3-7-28-23(17)30-8-10-31(11-9-30)24(35)18-13-14-12-15(5-6-16(14)29-18)38-26-21(34)19(32)20(33)22(39-26)25(36)37/h3-7,12-13,19-22,26-27,29,32-34H,2,8-11H2,1H3,(H,36,37)/t19-,20-,21+,22-,26+/m1/s1
InChIKey ZOQANSCYUJRXSG-XGVVWFOMSA-N
Mol Weight 541.56 g/mol
Molecular Formula C26H31N5O8
Exact Mass 541.217263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Br9iiIeiBCa
Name O-DESMETHYL-5-GLUCURONIC-ACID-ATEVIRDINE
Compound Number ME T-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H31N5O8
InChI InChI=1S/C26H31N5O8/c1-2-27-17-4-3-7-28-23(17)30-8-10-31(11-9-30)24(35)18-13-14-12-15(5-6-16(14)29-18)38-26-21(34)19(32)20(33)22(39-26)25(36)37/h3-7,12-13,19-22,26-27,29,32-34H,2,8-11H2,1H3,(H,36,37)/t19-,20-,21+,22-,26+/m1/s1
InChIKey ZOQANSCYUJRXSG-XGVVWFOMSA-N
Literature Reference Author M.CHANG,V.K.SOOD,G.J.WILSON,D.A.KLOOSTERMAN,P.E.SANDERS,M.R. SCHUETTE,R.W.JUDY,R.
Literature Reference Citation DRUG.MET.DISP.,26,1008(1998)
Molecular Weight 541.561 g/mol
Source File Reference UWLU74468