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METHYL 3-O-(2,3,4-TRI-O-ACETYL-6-O-TRITYL-BETA-D-GLUCOPYRANOSYL)-4-O-ACETYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANURONATE
SpectraBase Compound ID KFV2JeZ3F78
InChI InChI=1S/C43H45NO16/c1-24(45)52-32-31(22-51-43(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-20-14-9-15-21-30)56-40(37(55-27(4)48)33(32)53-25(2)46)57-35-34(54-26(3)47)36(39(49)50-6)58-41-38(35)59-42(5,23-44)60-41/h7-21,31-38,40-41H,22H2,1-6H3/t31-,32-,33+,34+,35+,36+,37-,38-,40+,41-,42-/m1/s1
InChIKey ZDWWBXZKLGFBQG-OMWAWVMPSA-N
Mol Weight 831.8 g/mol
Molecular Formula C43H45NO16
Exact Mass 831.273834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cjrw1KEmN0s
Name METHYL 3-O-(2,3,4-TRI-O-ACETYL-6-O-TRITYL-BETA-D-GLUCOPYRANOSYL)-4-O-ACETYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANURONATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C43H45NO16
InChI InChI=1S/C43H45NO16/c1-24(45)52-32-31(22-51-43(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-20-14-9-15-21-30)56-40(37(55-27(4)48)33(32)53-25(2)46)57-35-34(54-26(3)47)36(39(49)50-6)58-41-38(35)59-42(5,23-44)60-41/h7-21,31-38,40-41H,22H2,1-6H3/t31-,32-,33+,34+,35+,36+,37-,38-,40+,41-,42-/m1/s1
InChIKey ZDWWBXZKLGFBQG-OMWAWVMPSA-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