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3,6-DI-O-BENZOYL-4-O-(2,6-DI-O-BENZOYL-3,4-O-ISOPROPYLIDENE-BETA-D-GALACTOPYRANOSYL)-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANOSE
SpectraBase Compound ID BY5R18tE4Ib
InChI InChI=1S/C46H43NO15/c1-45(2)59-34-32(25-53-40(49)28-18-10-5-11-19-28)54-43(37(36(34)60-45)57-42(51)30-22-14-7-15-23-30)58-33-31(24-52-39(48)27-16-8-4-9-17-27)55-44-38(61-46(3,26-47)62-44)35(33)56-41(50)29-20-12-6-13-21-29/h4-23,31-38,43-44H,24-25H2,1-3H3/t31-,32-,33-,34+,35+,36+,37-,38-,43+,44-,46-/m1/s1
InChIKey VPBZSRBXZCYQCL-BZPGANSVSA-N
Mol Weight 849.8 g/mol
Molecular Formula C46H43NO15
Exact Mass 849.26327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJe0CM78OTH
Name 3,6-DI-O-BENZOYL-4-O-(2,6-DI-O-BENZOYL-3,4-O-ISOPROPYLIDENE-BETA-D-GALACTOPYRANOSYL)-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANOSE
Comments S
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C46H43NO15
InChI InChI=1S/C46H43NO15/c1-45(2)59-34-32(25-53-40(49)28-18-10-5-11-19-28)54-43(37(36(34)60-45)57-42(51)30-22-14-7-15-23-30)58-33-31(24-52-39(48)27-16-8-4-9-17-27)55-44-38(61-46(3,26-47)62-44)35(33)56-41(50)29-20-12-6-13-21-29/h4-23,31-38,43-44H,24-25H2,1-3H3/t31-,32-,33-,34+,35+,36+,37-,38-,43+,44-,46-/m1/s1
InChIKey VPBZSRBXZCYQCL-BZPGANSVSA-N
Instrument Name Bruker AM-300
Literature Reference N.E.NIFANT'EV, L.V.BAKINOVSKY, N.K.KOCHETKOV (1987) Bioorganich.Khim.(Russ.Lang.): v.13, N8, 1093-1101.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3