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KYZSOPIZDMFUBC-GGXDMXBBSA-N
SpectraBase Compound ID JufuRGUNchZ
InChI InChI=1S/C25H32N6O8/c1-37-15-4-2-3-14(9-15)29-23-18-13(5-8-31(18)28-12-27-23)10-30-7-6-16(26)17(11-30)38-25-21(34)19(32)20(33)22(39-25)24(35)36/h2-5,8-9,12,16-17,19-22,25,32-34H,6-7,10-11,26H2,1H3,(H,35,36)(H,27,28,29)/t16-,17-,19-,20-,21+,22-,25+/m1/s1
InChIKey KYZSOPIZDMFUBC-GGXDMXBBSA-N
Mol Weight 544.6 g/mol
Molecular Formula C25H32N6O8
Exact Mass 544.228162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IphSANAkL2q
Name KYZSOPIZDMFUBC-GGXDMXBBSA-N
Compound Number M6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32N6O8
InChI InChI=1S/C25H32N6O8/c1-37-15-4-2-3-14(9-15)29-23-18-13(5-8-31(18)28-12-27-23)10-30-7-6-16(26)17(11-30)38-25-21(34)19(32)20(33)22(39-25)24(35)36/h2-5,8-9,12,16-17,19-22,25,32-34H,6-7,10-11,26H2,1H3,(H,35,36)(H,27,28,29)/t16-,17-,19-,20-,21+,22-,25+/m1/s1
InChIKey KYZSOPIZDMFUBC-GGXDMXBBSA-N
Literature Reference Author H.HONG,H.SU,H.SUN,A.ALLENTOFF,I.V.EKHATO,T.CHANDRO,J.CACERES -CORTES,V.ROONGTA,R.
Literature Reference Citation DRUG.MET.DISP.,38,1189(2010)
Literature Reference DOI 10.1124/dmd.110.032755
Molecular Weight 544.564 g/mol
Source File Reference UWLU74045