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1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-3,6-DI-O-BENZOYL-4-O-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL)-ALPHA-D-GLUCOPYRANOSE
SpectraBase Compound ID JFklMgyV8vT
InChI InChI=1S/C57H47NO17/c1-57(34-58)74-48-46(71-53(63)39-28-16-6-17-29-39)44(42(68-56(48)75-57)33-66-50(60)36-22-10-3-11-23-36)73-55-47(72-54(64)40-30-18-7-19-31-40)45(70-52(62)38-26-14-5-15-27-38)43(69-51(61)37-24-12-4-13-25-37)41(67-55)32-65-49(59)35-20-8-2-9-21-35/h2-31,41-48,55-56H,32-33H2,1H3/t41-,42-,43+,44-,45+,46+,47-,48-,55+,56-,57-/m1/s1
InChIKey NZZHYTUFAWOOHL-ORFOERGASA-N
Mol Weight 1018.0 g/mol
Molecular Formula C57H47NO17
Exact Mass 1017.284399 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5M7p2v5enCM
Name 1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-3,6-DI-O-BENZOYL-4-O-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL)-ALPHA-D-GLUCOPYRANOSE
Comments SA
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C57H47NO17
InChI InChI=1S/C57H47NO17/c1-57(34-58)74-48-46(71-53(63)39-28-16-6-17-29-39)44(42(68-56(48)75-57)33-66-50(60)36-22-10-3-11-23-36)73-55-47(72-54(64)40-30-18-7-19-31-40)45(70-52(62)38-26-14-5-15-27-38)43(69-51(61)37-24-12-4-13-25-37)41(67-55)32-65-49(59)35-20-8-2-9-21-35/h2-31,41-48,55-56H,32-33H2,1H3/t41-,42-,43+,44-,45+,46+,47-,48-,55+,56-,57-/m1/s1
InChIKey NZZHYTUFAWOOHL-ORFOERGASA-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, 967-976.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3