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PZEXFDFEUNSUKB-GWQOTCSHSA-N

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PZEXFDFEUNSUKB-GWQOTCSHSA-N
SpectraBase Compound ID BE1De5Ehx4M
InChI InChI=1S/C29H31N5O9/c1-29(2)14-34(28(41)43-27-22(37)20(35)21(36)23(42-27)26(39)40)19-12-16(5-6-18(19)29)33-25(38)17-4-3-9-31-24(17)32-13-15-7-10-30-11-8-15/h3-12,20-23,27,35-37H,13-14H2,1-2H3,(H,31,32)(H,33,38)(H,39,40)/t20-,21-,22+,23-,27-/m1/s1
InChIKey PZEXFDFEUNSUKB-GWQOTCSHSA-N
Mol Weight 593.59 g/mol
Molecular Formula C29H31N5O9
Exact Mass 593.212178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DDGbLgYcQv
Name PZEXFDFEUNSUKB-GWQOTCSHSA-N
Compound Number MA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31N5O9
InChI InChI=1S/C29H31N5O9/c1-29(2)14-34(28(41)43-27-22(37)20(35)21(36)23(42-27)26(39)40)19-12-16(5-6-18(19)29)33-25(38)17-4-3-9-31-24(17)32-13-15-7-10-30-11-8-15/h3-12,20-23,27,35-37H,13-14H2,1-2H3,(H,31,32)(H,33,38)(H,39,40)/t20-,21-,22+,23-,27-/m1/s1
InChIKey PZEXFDFEUNSUKB-GWQOTCSHSA-N
Literature Reference Author C.LI,M.KUCHIMANCHI,D.HICKMAN,L.POPPE,M.HAYASHI,Y.ZHOU,R.SUBR AMANIAN,G.KUMAR,S.SU
Literature Reference Citation DRUG.MET.DISP.,37,1378(2009)
Literature Reference DOI 10.1124/dmd.108.025742
Molecular Weight 593.593 g/mol
Source File Reference UWLU74082