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6-[2-[2-(2-HYDROXYETHYLCARBAMOYL)-3,6-DIOXOCYCLOHEXA-1,4-DIENYLAMINO]-2-(4-HYDROXYPHENYL)-ACETYLAMINO]-CEPHALOSPORANIC-ACID

View entire compound with spectra: 1 NMR

6-[2-[2-(2-HYDROXYETHYLCARBAMOYL)-3,6-DIOXOCYCLOHEXA-1,4-DIENYLAMINO]-2-(4-HYDROXYPHENYL)-ACETYLAMINO]-CEPHALOSPORANIC-ACID
SpectraBase Compound ID FgODdX2IxIP
InChI InChI=1S/C25H24N4O9S/c1-11-10-39-24-19(23(36)29(24)20(11)25(37)38)28-22(35)17(12-2-4-13(31)5-3-12)27-18-15(33)7-6-14(32)16(18)21(34)26-8-9-30/h2-7,17,19,24,27,30-31H,8-10H2,1H3,(H,26,34)(H,28,35)(H,37,38)/t17-,19-,24-/m1/s1
InChIKey GSKOMMCOHXDJGG-ROMRWMGNSA-N
Mol Weight 556.55 g/mol
Molecular Formula C25H24N4O9S
Exact Mass 556.1264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4fJnCxT3KLw
Name 6-[2-[2-(2-HYDROXYETHYLCARBAMOYL)-3,6-DIOXOCYCLOHEXA-1,4-DIENYLAMINO]-2-(4-HYDROXYPHENYL)-ACETYLAMINO]-CEPHALOSPORANIC-ACID
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24N4O9S
InChI InChI=1S/C25H24N4O9S/c1-11-10-39-24-19(23(36)29(24)20(11)25(37)38)28-22(35)17(12-2-4-13(31)5-3-12)27-18-15(33)7-6-14(32)16(18)21(34)26-8-9-30/h2-7,17,19,24,27,30-31H,8-10H2,1H3,(H,26,34)(H,28,35)(H,37,38)/t17-,19-,24-/m1/s1
InChIKey GSKOMMCOHXDJGG-ROMRWMGNSA-N
Literature Reference Author A.MIKOLASCH,T.H.J.NIEDERMEYER,M.LALK,S.WITT,S.SEEFELDT,E.HAM MER,F.SCHAUER,M.G.SA
Literature Reference Citation CHEM.PHARM.BULL.,55,412(2007)
Literature Reference DOI 10.1248/cpb.55.412
Molecular Weight 556.547 g/mol
Sample ID 55471
Solvent CD3CN