3-(HYDROXYMETHYL)-8-OXO-7-[2-(4-PYRIDYL)ACETAMIDO]-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID, DIPHENYLMETHYL ESTER, ACETATE (ESTER)

SpectraBase Compound ID	GufEkIsySGL
InChI	InChI=1S/C30H27N3O6S/c1-19(34)38-17-23-18-40-29-25(32-24(35)16-20-12-14-31-15-13-20)28(36)33(29)26(23)30(37)39-27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,25,27,29H,16-18H2,1H3,(H,32,35)/t25-,29-/m1/s1
InChIKey	VZLIYIACWWAOPW-VAVYLYDRSA-N Google Search
Mol Weight	557.62 g/mol
Molecular Formula	C30H27N3O6S
Exact Mass	557.162057 g/mol

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SpectraBase Spectrum ID	CwGz7JU1xC8
Name	3-(HYDROXYMETHYL)-8-OXO-7-[2-(4-PYRIDYL)ACETAMIDO]-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID, DIPHENYLMETHYL ESTER, ACETATE (ESTER)
Source of Sample	T. Kametani, Hoshi University, Tokyo, Japan
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H27N3O6S
InChI	InChI=1S/C30H27N3O6S/c1-19(34)38-17-23-18-40-29-25(32-24(35)16-20-12-14-31-15-13-20)28(36)33(29)26(23)30(37)39-27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,25,27,29H,16-18H2,1H3,(H,32,35)/t25-,29-/m1/s1
InChIKey	VZLIYIACWWAOPW-VAVYLYDRSA-N
Literature Reference	HETEROCYCLES 20, 1577(1983) Abstract-Chemical Abstracts= 99, 139586(1983)
Molecular Weight	557.620972
Synonyms	CEPHALOSPORANIC ACID, 7-/2-/4-PYRIDYL/ACETAMIDO/-, DIPHENYL METHYL ESTER 5-THIA-1-AZABICYCLO/4.2.0/OCT-2-ENE- 2-CARBOXYLIC ACID, 3-/HYDROXYMETHYL/- 8-OXO-7-/2-/4-PYRIDYL/ACETAMIDO/-, DI- PHENYLMETHYL ESTER, ACETATE /ESTER/
Technique	KBr WAFER