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

SpectraBase Compound ID	9378ETww1xN
InChI	InChI=1S/C31H28N2O6S/c1-20(34)38-18-24-19-40-30-26(32-25(35)17-21-11-5-2-6-12-21)29(36)33(30)27(24)31(37)39-28(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,26,28,30H,17-19H2,1H3,(H,32,35)/t26-,30-/m1/s1
InChIKey	SILHQPLECKIJRE-PDDLMNHVSA-N Google Search
Mol Weight	556.63 g/mol
Molecular Formula	C31H28N2O6S
Exact Mass	556.166808 g/mol

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SpectraBase Spectrum ID	8zE8zDhRqKk
Name	3-(HYDROXYMETHYL)-8-OXO-7-(2-PHENYLACETAMIDO)-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	C31H28N2O6S
InChI	InChI=1S/C31H28N2O6S/c1-20(34)38-18-24-19-40-30-26(32-25(35)17-21-11-5-2-6-12-21)29(36)33(30)27(24)31(37)39-28(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,26,28,30H,17-19H2,1H3,(H,32,35)/t26-,30-/m1/s1
InChIKey	SILHQPLECKIJRE-PDDLMNHVSA-N
Literature Reference	HETEROCYCLES 20, 1577(1983) Abstract-Chemical Abstracts= 99, 139586(1983)
Molecular Weight	556.632996
Synonyms	5-THIA-1-AZABICYCLO/4.2.0/OCT-2-ENE- 2-CARBOXYLIC ACID, 3-/HYDROXYMETHYL/- 8-OXO-7-/2-PHENYLACETAMIDO/-, DIPHENYL- METHYL ESTER, ACETATE /ESTER/ CEPHALOSPORANIC ACID, 7-/2-PHENYL- ACETAMIDO/-, DIPHENYLMETHYL ESTER
Technique	KBr WAFER