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N-[(9H-FLUOREN-9-YL)-METHOXYCARBONYL]-3-O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-D-THREONINE
SpectraBase Compound ID 7PKo0zNGwe3
InChI InChI=1S/C33H38N2O13/c1-16(27(31(40)41)35-33(42)44-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25)45-32-28(34-17(2)36)30(47-20(5)39)29(46-19(4)38)26(48-32)15-43-18(3)37/h6-13,16,25-30,32H,14-15H2,1-5H3,(H,34,36)(H,35,42)(H,40,41)/t16-,26+,27+,28+,29-,30+,32-/m0/s1
InChIKey OXLCJWGAUPPZQJ-SQIDMCQWSA-N
Mol Weight 670.7 g/mol
Molecular Formula C33H38N2O13
Exact Mass 670.237389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HadU4edsWIu
Name N-[(9H-FLUOREN-9-YL)-METHOXYCARBONYL]-3-O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-D-THREONINE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H38N2O13
InChI InChI=1S/C33H38N2O13/c1-16(27(31(40)41)35-33(42)44-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25)45-32-28(34-17(2)36)30(47-20(5)39)29(46-19(4)38)26(48-32)15-43-18(3)37/h6-13,16,25-30,32H,14-15H2,1-5H3,(H,34,36)(H,35,42)(H,40,41)/t16-,26+,27+,28+,29-,30+,32-/m0/s1
InChIKey OXLCJWGAUPPZQJ-SQIDMCQWSA-N
Literature Reference Author L.NAGEL,C.BUDKE,A.DREYER,T.KOOP,N.SEWALD
Literature Reference Citation BEIL.J.ORG.CHEM.,8,1657(2012)
Literature Reference DOI 10.3762/bjoc.8.190
Molecular Weight 670.670 g/mol
Solvent DMSO-D6
Source File Reference UWIR11257