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2-o-Tosyl-1,3,4,6-tetra-o-acetyl-.alpha.-D-galactose
SpectraBase Compound ID 1aj3mJFnEEU
InChI InChI=1S/C21H26O12S/c1-11-6-8-16(9-7-11)34(26,27)33-20-19(30-14(4)24)18(29-13(3)23)17(10-28-12(2)22)32-21(20)31-15(5)25/h6-9,17-21H,10H2,1-5H3/t17-,18+,19+,20-,21+/m1/s1
InChIKey ZDQZSGDNENMBGI-IFLJBQAJSA-N
Mol Weight 502.49 g/mol
Molecular Formula C21H26O12S
Exact Mass 502.114497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXKgd3MIPjw
Name 2-o-Tosyl-1,3,4,6-tetra-o-acetyl-.alpha.-D-galactose
Comments Computed using HOSE algorithm
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Exact Mass 502.114497439 u
Formula C21H26O12S
InChI InChI=1S/C21H26O12S/c1-11-6-8-16(9-7-11)34(26,27)33-20-19(30-14(4)24)18(29-13(3)23)17(10-28-12(2)22)32-21(20)31-15(5)25/h6-9,17-21H,10H2,1-5H3/t17-,18+,19+,20-,21+/m1/s1
InChIKey ZDQZSGDNENMBGI-IFLJBQAJSA-N
Molecular Weight 502.487 g/mol
SMILES [C@]1([C@](O[C@@]([C@@]([C@]1(OC(=O)C)[H])(OS(=O)(=O)C=1C=CC(=CC1)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])(OC(=O)C)[H]