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Galactose, 2-acetamido-2-deoxy-1,3,4,6-tetrabenzyl-

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Galactose, 2-acetamido-2-deoxy-1,3,4,6-tetrabenzyl-
SpectraBase Compound ID ATXPvpiEC8D
InChI InChI=1S/C36H39NO6/c1-27(38)37-33-35(41-24-30-18-10-4-11-19-30)34(40-23-29-16-8-3-9-17-29)32(26-39-22-28-14-6-2-7-15-28)43-36(33)42-25-31-20-12-5-13-21-31/h2-21,32-36H,22-26H2,1H3,(H,37,38)
InChIKey XYWAVJMRMSMGKO-UHFFFAOYSA-N
Mol Weight 581.7 g/mol
Molecular Formula C36H39NO6
Exact Mass 581.277738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bjl4dPBhSP2
Name Galactose, 2-acetamido-2-deoxy-1,3,4,6-tetrabenzyl-
Comments Computed using HOSE algorithm
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Exact Mass 581.277737974 u
Formula C36H39NO6
InChI InChI=1S/C36H39NO6/c1-27(38)37-33-35(41-24-30-18-10-4-11-19-30)34(40-23-29-16-8-3-9-17-29)32(26-39-22-28-14-6-2-7-15-28)43-36(33)42-25-31-20-12-5-13-21-31/h2-21,32-36H,22-26H2,1H3,(H,37,38)
InChIKey XYWAVJMRMSMGKO-UHFFFAOYSA-N
Molecular Weight 581.709 g/mol
SMILES C1=CC=CC=C1COCC1OC(C(C(OCC=2C=CC=CC2)C1OCC1=CC=CC=C1)NC(=O)C)OCC1=CC=CC=C1