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XUUIOBUHQIYLMU-OPMJLWCUSA-N

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XUUIOBUHQIYLMU-OPMJLWCUSA-N
SpectraBase Compound ID CI7ndtmwENL
InChI InChI=1S/C28H31N5O7/c1-28(2)14-33(26-22(36)20(34)21(35)23(40-26)27(38)39)19-12-16(5-6-18(19)28)32-25(37)17-4-3-9-30-24(17)31-13-15-7-10-29-11-8-15/h3-12,20-23,26,34-36H,13-14H2,1-2H3,(H,30,31)(H,32,37)(H,38,39)/t20-,21-,22+,23-,26+/m1/s1
InChIKey XUUIOBUHQIYLMU-OPMJLWCUSA-N
Mol Weight 549.58 g/mol
Molecular Formula C28H31N5O7
Exact Mass 549.222348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IO135rhsaqv
Name XUUIOBUHQIYLMU-OPMJLWCUSA-N
Compound Number M1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H31N5O7
InChI InChI=1S/C28H31N5O7/c1-28(2)14-33(26-22(36)20(34)21(35)23(40-26)27(38)39)19-12-16(5-6-18(19)28)32-25(37)17-4-3-9-30-24(17)31-13-15-7-10-29-11-8-15/h3-12,20-23,26,34-36H,13-14H2,1-2H3,(H,30,31)(H,32,37)(H,38,39)/t20-,21-,22+,23-,26+/m1/s1
InChIKey XUUIOBUHQIYLMU-OPMJLWCUSA-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 549.583 g/mol
Source File Reference UWLU74081