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3,6-DI-O-BENZOYL-4-O-(2,4,6-TRI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL)-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANOSE
SpectraBase Compound ID 84VbfAbkmRr
InChI InChI=1S/C50H43NO16/c1-50(29-51)66-42-41(64-47(57)34-25-15-6-16-26-34)39(36(61-49(42)67-50)28-59-44(54)31-19-9-3-10-20-31)65-48-40(63-46(56)33-23-13-5-14-24-33)37(52)38(62-45(55)32-21-11-4-12-22-32)35(60-48)27-58-43(53)30-17-7-2-8-18-30/h2-26,35-42,48-49,52H,27-28H2,1H3/t35-,36-,37+,38+,39-,40-,41+,42-,48+,49-,50-/m1/s1
InChIKey ARWGZTVIWKBILB-JOQDPLIYSA-N
Mol Weight 913.9 g/mol
Molecular Formula C50H43NO16
Exact Mass 913.258184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpxeFKVBdVY
Name 3,6-DI-O-BENZOYL-4-O-(2,4,6-TRI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL)-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANOSE
Comments #B
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C50H43NO16
InChI InChI=1S/C50H43NO16/c1-50(29-51)66-42-41(64-47(57)34-25-15-6-16-26-34)39(36(61-49(42)67-50)28-59-44(54)31-19-9-3-10-20-31)65-48-40(63-46(56)33-23-13-5-14-24-33)37(52)38(62-45(55)32-21-11-4-12-22-32)35(60-48)27-58-43(53)30-17-7-2-8-18-30/h2-26,35-42,48-49,52H,27-28H2,1H3/t35-,36-,37+,38+,39-,40-,41+,42-,48+,49-,50-/m1/s1
InChIKey ARWGZTVIWKBILB-JOQDPLIYSA-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