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SODIUM-SALT-OF-5-ACETAMIDO-3,5-DIDEOXY-2-THIO-ALPHA-D-GLYCERO-D-GALACTO-NONULOPYRANOSYLONIC-ACID-(2-S-6)-7-DEOXY-L-GLYCERO-D-GALACTO-HEPT
SpectraBase Compound ID HsuKqfbJSUT
InChI InChI=1S/C18H31NO13S.Na/c1-5(14-12(26)11(25)13(27)16(28)31-14)33-18(17(29)30)3-7(22)9(19-6(2)21)15(32-18)10(24)8(23)4-20;/h5,7-16,20,22-28H,3-4H2,1-2H3,(H,19,21)(H,29,30);/q;+1/p-1/t5?,7-,8+,9+,10+,11-,12+,13+,14+,15+,16+,18-;/m0./s1
InChIKey JEMFELUWHNIUOS-ODQKYUDRSA-M
Mol Weight 523.48 g/mol
Molecular Formula C18H30NNaO13S
Exact Mass 523.133555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9A4TyA7xn04
Name SODIUM-SALT-OF-5-ACETAMIDO-3,5-DIDEOXY-2-THIO-ALPHA-D-GLYCERO-D-GALACTO-NONULOPYRANOSYLONIC-ACID-(2-S-6)-7-DEOXY-L-GLYCERO-D-GALACTO-HEPT
Compound Number 22B-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H30NNaO13S
InChI InChI=1S/C18H31NO13S.Na/c1-5(14-12(26)11(25)13(27)16(28)31-14)33-18(17(29)30)3-7(22)9(19-6(2)21)15(32-18)10(24)8(23)4-20;/h5,7-16,20,22-28H,3-4H2,1-2H3,(H,19,21)(H,29,30);/q;+1/p-1/t5?,7-,8+,9+,10+,11-,12+,13+,14+,15+,16+,18-;/m0./s1
InChIKey JEMFELUWHNIUOS-ODQKYUDRSA-M
Literature Reference Author S.SABESAN,S.NEIRA,F.DAVIDSON,J.O.DUUS,K.BOCK
Literature Reference Citation J.AM.CHEM.SOC.,116,1616(1994)
Literature Reference DOI 10.1021/ja00084a003
Molecular Weight 523.485 g/mol
Solvent D2O
Source File Reference UWRU6999