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3-O-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-2-HEXANAMIDO-1-O-HEXYL-SN-GLYCEROL
SpectraBase Compound ID FLjNGQowTkg
InChI InChI=1S/C49H57NO12/c1-3-5-7-21-31-56-32-39(50-41(51)30-12-6-4-2)33-58-49-44(62-48(55)38-28-19-11-20-29-38)43(61-47(54)37-26-17-10-18-27-37)42(60-46(53)36-24-15-9-16-25-36)40(59-49)34-57-45(52)35-22-13-8-14-23-35/h8-11,13-20,22-29,39-40,42-44,49H,3-7,12,21,30-34H2,1-2H3,(H,50,51)/t39-,40+,42-,43-,44+,49+/m1/s1
InChIKey ISDYMYFKISKTBZ-OIUOMXDGSA-N
Mol Weight 852.0 g/mol
Molecular Formula C49H57NO12
Exact Mass 851.388076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVHuuwa48uC
Name 3-O-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-2-HEXANAMIDO-1-O-HEXYL-SN-GLYCEROL
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H57NO12
InChI InChI=1S/C49H57NO12/c1-3-5-7-21-31-56-32-39(50-41(51)30-12-6-4-2)33-58-49-44(62-48(55)38-28-19-11-20-29-38)43(61-47(54)37-26-17-10-18-27-37)42(60-46(53)36-24-15-9-16-25-36)40(59-49)34-57-45(52)35-22-13-8-14-23-35/h8-11,13-20,22-29,39-40,42-44,49H,3-7,12,21,30-34H2,1-2H3,(H,50,51)/t39-,40+,42-,43-,44+,49+/m1/s1
InChIKey ISDYMYFKISKTBZ-OIUOMXDGSA-N
Literature Reference Author F.DUMOULIN,D.LAFONT,P.BOULLANGER,G.MACKENZIE,G.H.MEHL,J.W.GO ODBY
Literature Reference Citation J.AM.CHEM.SOC.,124,13737(2002)
Literature Reference DOI 10.1021/ja020396+
Molecular Weight 851.991 g/mol
Sample ID 48333
Solvent CDCl3