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7-[2-(5-METHYL-3,4-DIOXOCYCLOHEXA-1,5-DIENYLAMINO)-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-CEPHALOSPORANIC-ACID
SpectraBase Compound ID BFgrTESofqL
InChI InChI=1S/C23H21N3O7S/c1-10-7-13(8-15(28)19(10)29)24-16(12-3-5-14(27)6-4-12)20(30)25-17-21(31)26-18(23(32)33)11(2)9-34-22(17)26/h3-8,16-17,22,24,27H,9H2,1-2H3,(H,25,30)(H,32,33)/t16-,17-,22-/m1/s1
InChIKey JQKKJAPCZGRPFN-DRSNIGMVSA-N
Mol Weight 483.5 g/mol
Molecular Formula C23H21N3O7S
Exact Mass 483.110021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8JpepCyokhW
Name 7-[2-(5-METHYL-3,4-DIOXOCYCLOHEXA-1,5-DIENYLAMINO)-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-CEPHALOSPORANIC-ACID
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21N3O7S
InChI InChI=1S/C23H21N3O7S/c1-10-7-13(8-15(28)19(10)29)24-16(12-3-5-14(27)6-4-12)20(30)25-17-21(31)26-18(23(32)33)11(2)9-34-22(17)26/h3-8,16-17,22,24,27H,9H2,1-2H3,(H,25,30)(H,32,33)/t16-,17-,22-/m1/s1
InChIKey JQKKJAPCZGRPFN-DRSNIGMVSA-N
Literature Reference Author A.MIKOLASCH,M.WURSTER,M.LALK,S.WITT,S.SEEFELDT,E.HAMMER,F.SC HAUER
Literature Reference Citation CHEM.PHARM.BULL.,56,902(2008)
Literature Reference DOI 10.1248/cpb.56.902
Molecular Weight 483.496 g/mol
Sample ID 1830
Solvent DMSO-D6