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[D,L-(1,2,4/3,5,6)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]-METHYL-HEXADECANOATE-3,4-BIS-(SODIUMSULFATE)
SpectraBase Compound ID 1YYdbMOtiF3
InChI InChI=1S/C23H44O13S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)34-16-17-19(25)21(27)23(36-38(31,32)33)22(20(17)26)35-37(28,29)30;;/h17,19-23,25-27H,2-16H2,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/t17-,19-,20-,21-,22+,23+;;/m1../s1
InChIKey VEHQOFWXTUKMEC-OXULCFEJSA-L
Mol Weight 636.67553856 g/mol
Molecular Formula C23H42Na2O13S2
Exact Mass 636.186222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fd71r9f0p4T
Name [D,L-(1,2,4/3,5,6)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]-METHYL-HEXADECANOATE-3,4-BIS-(SODIUMSULFATE)
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H42Na2O13S2
InChI InChI=1S/C23H44O13S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)34-16-17-19(25)21(27)23(36-38(31,32)33)22(20(17)26)35-37(28,29)30;;/h17,19-23,25-27H,2-16H2,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/t17-,19-,20-,21-,22+,23+;;/m1../s1
InChIKey VEHQOFWXTUKMEC-OXULCFEJSA-L
Literature Reference Author D.J.R.MASSY,P.WYSS
Literature Reference Citation HELV.CHIM.ACTA,73,1037(1990)
Literature Reference DOI 10.1002/hlca.19900730428
Molecular Weight 636.678 g/mol
Solvent DMSO-D6
Source File Reference UWCS9869