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METHYL 4-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-3-O-BENZOYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANURONATE

View entire compound with spectra: 1 NMR

METHYL 4-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-3-O-BENZOYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANURONATE
SpectraBase Compound ID LOOJDPCyzDI
InChI InChI=1S/C31H35NO17/c1-14(33)40-12-19-20(41-15(2)34)21(42-16(3)35)25(43-17(4)36)29(44-19)46-22-23(45-27(37)18-10-8-7-9-11-18)26-30(47-24(22)28(38)39-6)49-31(5,13-32)48-26/h7-11,19-26,29-30H,12H2,1-6H3/t19-,20-,21+,22+,23+,24+,25-,26-,29+,30-,31-/m1/s1
InChIKey UXQJUCDXTKAILU-NTGPFFIZSA-N
Mol Weight 693.6 g/mol
Molecular Formula C31H35NO17
Exact Mass 693.190499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRo7D0NY3yp
Name METHYL 4-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-3-O-BENZOYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANURONATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H35NO17
InChI InChI=1S/C31H35NO17/c1-14(33)40-12-19-20(41-15(2)34)21(42-16(3)35)25(43-17(4)36)29(44-19)46-22-23(45-27(37)18-10-8-7-9-11-18)26-30(47-24(22)28(38)39-6)49-31(5,13-32)48-26/h7-11,19-26,29-30H,12H2,1-6H3/t19-,20-,21+,22+,23+,24+,25-,26-,29+,30-,31-/m1/s1
InChIKey UXQJUCDXTKAILU-NTGPFFIZSA-N
Instrument Name Bruker WP-60
Literature Reference V.I.BETANELI, M.M.LITVAK, M.I.STRUCHKOVA, L.V.BAKINOVSKY, N.K.KOCHETKOV (1983)Bioorganich.Khim.(Russ. Lang.): v.9, N1, 87-103.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3