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METHYL 4-O-ACETYL-3-O-BENZOYL-6-O-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID BdB6MpSpmzc
InChI InChI=1S/C58H49NO18/c1-34(60)71-45-43(72-57(68-2)44(47(45)75-54(65)37-24-12-5-13-25-37)59-50(61)40-30-18-19-31-41(40)51(59)62)33-70-58-49(77-56(67)39-28-16-7-17-29-39)48(76-55(66)38-26-14-6-15-27-38)46(74-53(64)36-22-10-4-11-23-36)42(73-58)32-69-52(63)35-20-8-3-9-21-35/h3-31,42-49,57-58H,32-33H2,1-2H3/t42-,43-,44-,45-,46+,47-,48+,49-,57-,58-/m1/s1
InChIKey JFDXHSXKFGPWCA-HAAIZJRGSA-N
Mol Weight 1048.0 g/mol
Molecular Formula C58H49NO18
Exact Mass 1047.294964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FtEdHiy5YN
Name METHYL 4-O-ACETYL-3-O-BENZOYL-6-O-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C58H49NO18
InChI InChI=1S/C58H49NO18/c1-34(60)71-45-43(72-57(68-2)44(47(45)75-54(65)37-24-12-5-13-25-37)59-50(61)40-30-18-19-31-41(40)51(59)62)33-70-58-49(77-56(67)39-28-16-7-17-29-39)48(76-55(66)38-26-14-6-15-27-38)46(74-53(64)36-22-10-4-11-23-36)42(73-58)32-69-52(63)35-20-8-3-9-21-35/h3-31,42-49,57-58H,32-33H2,1-2H3/t42-,43-,44-,45-,46+,47-,48+,49-,57-,58-/m1/s1
InChIKey JFDXHSXKFGPWCA-HAAIZJRGSA-N
Instrument Name Bruker WM-250
Literature Reference N.E.NIFANT'EV, L.V.BAKINOVSKY, N.K.KOCHETKOV (1987) Bioorganich.Khim.(Russ.Lang.): v.13, N7, 977-991.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3