cis-5,6-3-[(trans-2-acetamidovinyl)sulfinyl]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3,2,o]hept-2-ene-2-carboxylic acid, monosodium salt, hydrogen sulfate, sodium salt, hydrate

SpectraBase Compound ID	8Yn89OSDzrI
InChI	InChI=1S/C14H18N2O9S2.2Na.H2O/c1-7(17)15-4-5-26(21)9-6-8-10(14(2,3)25-27(22,23)24)12(18)16(8)11(9)13(19)20;;;/h4-5,8,10H,6H2,1-3H3,(H,15,17)(H,19,20)(H,22,23,24);;;1H2/q;2*+1;/p-2/b5-4+;;;/t8-,10+,26?;;;/m1.../s1
InChIKey	CVTFCZVRHZAXNC-MWHJYNKZSA-L Google Search
Mol Weight	484.40153856 g/mol
Molecular Formula	C14H18N2Na2O10S2
Exact Mass	484.019826 g/mol

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SpectraBase Spectrum ID	F1lRwaUwoYm
Name	cis-5,6-3-[(trans-2-ACETAMIDOVINYL)SULFINYL]-6-(1-HYDROXY-1-METHYLETHYL)-7-OXO-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID, MONOSODIUM SALT, HYDROGEN SULFATE, SODIUM SALT, HYDRATE
Source of Sample	S. Harada, Takeda Chemical Industries, Ltd., Osaka, Japan
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H18N2Na2O10S2
InChI	InChI=1S/C14H18N2O9S2.2Na.H2O/c1-7(17)15-4-5-26(21)9-6-8-10(14(2,3)25-27(22,23)24)12(18)16(8)11(9)13(19)20;;;/h4-5,8,10H,6H2,1-3H3,(H,15,17)(H,19,20)(H,22,23,24);;;1H2/q;2*+1;/p-2/b5-4+;;;/t8-,10+,26?;;;/m1.../s1
InChIKey	CVTFCZVRHZAXNC-MWHJYNKZSA-L
Literature Reference	TETRAHEDRON 39, 75(1983) Abstract-Chemical Abstracts= 99, 5402M(1983)
Molecular Weight	484.403860
Optical Properties	Optical Rotation= (23-26C) -175 DEG (c=0.5, WATER)
Synonyms	1-AZABICYCLO/3.2.0/HEPT-2-ENE-2- CARBOXYLIC ACID, CIS-5,6-3-//TRANS-2- ACETAMIDOVINYL/SULFINYL/-6-/1-HYDROXY- 1-METHYLETHYL/-7-OXO-, MONOSODIUM SALT, HYDROGEN SULFATE, SODIUM SALT, HYDRATE
Technique	KBr WAFER