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LACTOBIONIC ACID, CALCIUM SALT (2:1), DIHYDRATE

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LACTOBIONIC ACID, CALCIUM SALT (2:1), DIHYDRATE
SpectraBase Compound ID ewx4grEzHv
InChI InChI=1S/2C12H22O12.Ca/c2*13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;/h2*3-10,12-20H,1-2H2,(H,21,22);/q;;+2/p-2/t2*3-,4-,5+,6+,7-,8-,9-,10+,12+;/m10./s1
InChIKey RHEMCSSAABKPLI-UJKNGLSHSA-L
Mol Weight 754.65 g/mol
Molecular Formula C24H42CaO24
Exact Mass 754.169193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IyBelYjgU6i
Name LACTOBIONIC ACID, CALCIUM SALT (2:1), DIHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H42CaO24 2H2O
InChI InChI=1S/2C12H22O12.Ca/c2*13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;/h2*3-10,12-20H,1-2H2,(H,21,22);/q;;+2/p-2/t2*3-,4-,5+,6+,7-,8-,9-,10+,12+;/m10./s1
InChIKey RHEMCSSAABKPLI-UJKNGLSHSA-L
Melting Point 126-127C (dec.)
Molecular Weight 790.70
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms LACTOBIONIC ACID, CALCIUM SALT, DIHYDRATE