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

SpectraBase Compound ID	LAl8r94vBrO
InChI	InChI=1S/C25H24N4O8S/c1-12-11-38-24-19(23(35)29(24)20(12)25(36)37)28-22(34)17(13-5-3-2-4-6-13)27-18-15(32)8-7-14(31)16(18)21(33)26-9-10-30/h2-8,17,19,24,27,30H,9-11H2,1H3,(H,26,33)(H,28,34)(H,36,37)/t17-,19-,24-/m1/s1
InChIKey	PDMCQRHCTQOBTI-ROMRWMGNSA-N Google Search
Mol Weight	540.55 g/mol
Molecular Formula	C25H24N4O8S
Exact Mass	540.131485 g/mol

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SpectraBase Spectrum ID	KqCYU2VtiIo
Name	6-[2-[2-(2-HYDROXYETHYLCARBAMOYL)-3,6-DIOXOCYCLOHEXA-1,4-DIENYLAMINO]-2-PHENYL-ACETYLAMINO]-CEPHALOSPORANIC-ACID
Compound Number	3E
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C25H24N4O8S
InChI	InChI=1S/C25H24N4O8S/c1-12-11-38-24-19(23(35)29(24)20(12)25(36)37)28-22(34)17(13-5-3-2-4-6-13)27-18-15(32)8-7-14(31)16(18)21(33)26-9-10-30/h2-8,17,19,24,27,30H,9-11H2,1H3,(H,26,33)(H,28,34)(H,36,37)/t17-,19-,24-/m1/s1
InChIKey	PDMCQRHCTQOBTI-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	540.548 g/mol
Sample ID	55472
Solvent	CD3CN