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6-(BENZYLOXYCARBAMOYLAMINO)-HEXYL-2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSY-(1->4)-2,3,6-TRI-O-BENZOYL-1-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 4Jta0A2Vtsd
InChI InChI=1S/C75H77NO16/c77-70(59-39-21-8-22-40-59)86-53-63-65(67(90-71(78)60-41-23-9-24-42-60)69(91-72(79)61-43-25-10-26-44-61)73(88-63)82-46-28-2-1-27-45-76-75(80)87-51-58-37-19-7-20-38-58)92-74-68(85-50-57-35-17-6-18-36-57)66(84-49-56-33-15-5-16-34-56)64(83-48-55-31-13-4-14-32-55)62(89-74)52-81-47-54-29-11-3-12-30-54/h3-26,29-44,62-69,73-74H,1-2,27-28,45-53H2,(H,76,80)/t62-,63-,64+,65+,66+,67+,68-,69-,73-,74-/m1/s1
InChIKey SMDFWKCUUJCMDW-SXBIBHFQSA-N
Mol Weight 1248.4 g/mol
Molecular Formula C75H77NO16
Exact Mass 1247.524235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CdvWlx8oInB
Name 6-(BENZYLOXYCARBAMOYLAMINO)-HEXYL-2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSY-(1->4)-2,3,6-TRI-O-BENZOYL-1-BETA-D-GALACTOPYRANOSIDE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H77NO16
InChI InChI=1S/C75H77NO16/c77-70(59-39-21-8-22-40-59)86-53-63-65(67(90-71(78)60-41-23-9-24-42-60)69(91-72(79)61-43-25-10-26-44-61)73(88-63)82-46-28-2-1-27-45-76-75(80)87-51-58-37-19-7-20-38-58)92-74-68(85-50-57-35-17-6-18-36-57)66(84-49-56-33-15-5-16-34-56)64(83-48-55-31-13-4-14-32-55)62(89-74)52-81-47-54-29-11-3-12-30-54/h3-26,29-44,62-69,73-74H,1-2,27-28,45-53H2,(H,76,80)/t62-,63-,64+,65+,66+,67+,68-,69-,73-,74-/m1/s1
InChIKey SMDFWKCUUJCMDW-SXBIBHFQSA-N
Literature Reference Author D.MUELLER,G.VIC,P.CRITCHLEY,D.H.G.CROUT,N.LEA,L.ROBERTS,J.M. LORD
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2287(1998)
Literature Reference DOI 10.1039/a801429i
Molecular Weight 1248.433 g/mol
Solvent CDCl3