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6-AZIDO-N-[TRIS-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLOXYMETHYL)-METHYL]-HEXANAMIDE
SpectraBase Compound ID DJfurFrnFkX
InChI InChI=1S/C52H74N4O31/c1-24(57)70-18-36-40(76-27(4)60)43(79-30(7)63)46(82-33(10)66)49(85-36)73-21-52(55-39(69)16-14-13-15-17-54-56-53,22-74-50-47(83-34(11)67)44(80-31(8)64)41(77-28(5)61)37(86-50)19-71-25(2)58)23-75-51-48(84-35(12)68)45(81-32(9)65)42(78-29(6)62)38(87-51)20-72-26(3)59/h36-38,40-51H,13-23H2,1-12H3,(H,55,69)/t36-,37-,38-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1
InChIKey RSZGOROPJXTXDF-RORCFNBVSA-N
Mol Weight 1251.2 g/mol
Molecular Formula C52H74N4O31
Exact Mass 1250.433702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ca4k161WCkq
Name 6-AZIDO-N-[TRIS-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLOXYMETHYL)-METHYL]-HEXANAMIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H74N4O31
InChI InChI=1S/C52H74N4O31/c1-24(57)70-18-36-40(76-27(4)60)43(79-30(7)63)46(82-33(10)66)49(85-36)73-21-52(55-39(69)16-14-13-15-17-54-56-53,22-74-50-47(83-34(11)67)44(80-31(8)64)41(77-28(5)61)37(86-50)19-71-25(2)58)23-75-51-48(84-35(12)68)45(81-32(9)65)42(78-29(6)62)38(87-51)20-72-26(3)59/h36-38,40-51H,13-23H2,1-12H3,(H,55,69)/t36-,37-,38-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1
InChIKey RSZGOROPJXTXDF-RORCFNBVSA-N
Literature Reference Author J.M.BENITO,M.GOMEZ-GARCIA,C.O.MELLET,I.BAUSSANNE,J.DEFAYE,J. M.G.FERNANDEZ
Literature Reference Citation J.AM.CHEM.SOC.,126,10355(2004)
Literature Reference DOI 10.1021/ja047864v
Molecular Weight 1251.168 g/mol
Sample ID 27882
Solvent CDCl3