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D-glycero-D-gulo-HEPTONIC ACID, CALCIUM SALT (2:1)
SpectraBase Compound ID 8f7UoxDnIFb
InChI InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6-;/m10./s1
InChIKey FATUQANACHZLRT-VZQWICNGSA-L
Mol Weight 490.42 g/mol
Molecular Formula C14H26CaO16
Exact Mass 490.084676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LB0an0ArJQ
Name D-glycero-D-gulo-HEPTONIC ACID, CALCIUM SALT (2:1)
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 17140-60-2
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26CaO16
InChI InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6-;/m10./s1
InChIKey FATUQANACHZLRT-VZQWICNGSA-L
Molecular Weight 490.43
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20