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#12;BENZYL-[2-O-BENZOYL-3-O-BENZYL-4-O-(4,6-O-BENZYLIDENE-2-DEOXY-3-O-LEVULINOYL-2-TETRACHLOROPHTHALIMIDO-BETA-D-GALACTOPYRANOSYL)-ALPHA-D-GLUCOPYRANOSE]-URONA
SpectraBase Compound ID Cv2UtSjBo0s
InChI InChI=1S/C53H47Cl4NO17/c1-27(59)22-23-33(60)71-42-40(58-47(61)34-35(48(62)63)37(55)39(57)38(56)36(34)54)53(70-32-26-69-52(74-41(32)42)31-20-12-5-13-21-31)75-44-43(67-24-28-14-6-2-7-15-28)45(72-49(64)30-18-10-4-11-19-30)51(66)73-46(44)50(65)68-25-29-16-8-3-9-17-29/h2-21,32,40-46,51-53,66H,22-26H2,1H3,(H,58,61)(H,62,63)/t32-,40-,41+,42-,43+,44+,45-,46+,51+,52-,53+/m1/s1
InChIKey QEJHKCLSRWEBKB-UKBWCDSNSA-N
Mol Weight 1111.8 g/mol
Molecular Formula C53H47Cl4NO17
Exact Mass 1109.15981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8UttiK14FOS
Name #12;BENZYL-[2-O-BENZOYL-3-O-BENZYL-4-O-(4,6-O-BENZYLIDENE-2-DEOXY-3-O-LEVULINOYL-2-TETRACHLOROPHTHALIMIDO-BETA-D-GALACTOPYRANOSYL)-ALPHA-D-GLUCOPYRANOSE]-URONA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H47Cl4NO17
InChI InChI=1S/C53H47Cl4NO17/c1-27(59)22-23-33(60)71-42-40(58-47(61)34-35(48(62)63)37(55)39(57)38(56)36(34)54)53(70-32-26-69-52(74-41(32)42)31-20-12-5-13-21-31)75-44-43(67-24-28-14-6-2-7-15-28)45(72-49(64)30-18-10-4-11-19-30)51(66)73-46(44)50(65)68-25-29-16-8-3-9-17-29/h2-21,32,40-46,51-53,66H,22-26H2,1H3,(H,58,61)(H,62,63)/t32-,40-,41+,42-,43+,44+,45-,46+,51+,52-,53+/m1/s1
InChIKey QEJHKCLSRWEBKB-UKBWCDSNSA-N
Literature Reference Author G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO
Literature Reference Citation EUR.J.ORG.CHEM.,2014,3868(2014)
Literature Reference DOI 10.1002/ejoc.201402222
Molecular Weight 1111.765 g/mol
Solvent CDCl3
Source File Reference UWLU85319