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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-TERT.-BUTYLESTER
SpectraBase Compound ID Kw6O8YSMtO
InChI InChI=1S/C37H46N2O13/c1-19(48-35-31(38-20(2)40)33(50-23(5)43)32(49-22(4)42)29(51-35)18-46-21(3)41)30(34(44)52-37(6,7)8)39-36(45)47-17-28-26-15-11-9-13-24(26)25-14-10-12-16-27(25)28/h9-16,19,28-33,35H,17-18H2,1-8H3,(H,38,40)(H,39,45)/t19-,29+,30+,31+,32-,33+,35-/m0/s1
InChIKey MXDXWMQDZUVOIK-MZNQLFORSA-N
Mol Weight 726.8 g/mol
Molecular Formula C37H46N2O13
Exact Mass 726.29999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4E3zN3gHNWN
Name N-[(9H-FLUOREN-9-YL)-METHOXYCARBONYL]-3-O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-D-THREONINE-TERT.-BUTYLESTER
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H46N2O13
InChI InChI=1S/C37H46N2O13/c1-19(48-35-31(38-20(2)40)33(50-23(5)43)32(49-22(4)42)29(51-35)18-46-21(3)41)30(34(44)52-37(6,7)8)39-36(45)47-17-28-26-15-11-9-13-24(26)25-14-10-12-16-27(25)28/h9-16,19,28-33,35H,17-18H2,1-8H3,(H,38,40)(H,39,45)/t19-,29+,30+,31+,32-,33+,35-/m0/s1
InChIKey MXDXWMQDZUVOIK-MZNQLFORSA-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 726.778 g/mol
Solvent CDCl3
Source File Reference UWIR11255