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METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO-PYRANOSIDONATE
SpectraBase Compound ID HuJCYh1rMzN
InChI InChI=1S/C20H29NO12S/c1-9(22)21-16-14(30-11(3)24)7-20(34,19(27)28-6)33-18(16)17(32-13(5)26)15(31-12(4)25)8-29-10(2)23/h14-18,34H,7-8H2,1-6H3,(H,21,22)/t14-,15-,16+,17+,18+,20-/m0/s1
InChIKey MLFZPKQKCXXHOE-ZGRIBIJBSA-N
Mol Weight 507.51 g/mol
Molecular Formula C20H29NO12S
Exact Mass 507.141047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FOcjj9QdN5O
Name METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO-PYRANOSIDONATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H29NO12S
InChI InChI=1S/C20H29NO12S/c1-9(22)21-16-14(30-11(3)24)7-20(34,19(27)28-6)33-18(16)17(32-13(5)26)15(31-12(4)25)8-29-10(2)23/h14-18,34H,7-8H2,1-6H3,(H,21,22)/t14-,15-,16+,17+,18+,20-/m0/s1
InChIKey MLFZPKQKCXXHOE-ZGRIBIJBSA-N
Literature Reference Author S.J.MEUNIER,Q.WU,S.N.WANG,R.ROY
Literature Reference Citation CAN.J.CHEM.,75,1472(1997)
Literature Reference DOI 10.1139/v97-177
Molecular Weight 507.510 g/mol
Solvent CDCl3
Source File Reference UWCP8050