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BENZYL[ALLYL-2,3,6,2',3'-PENTA-O-ACETYL-4'-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-BETA-CELLOBIOSIDE]URONATE
SpectraBase Compound ID 8xdeS4Y6fE6
InChI InChI=1S/C66H74O22/c1-7-33-74-64-61(82-44(5)70)56(80-42(3)68)54(52(84-64)40-75-41(2)67)86-66-62(83-45(6)71)58(81-43(4)69)57(59(88-66)63(72)79-38-50-31-21-12-22-32-50)87-65-60(78-37-49-29-19-11-20-30-49)55(77-36-48-27-17-10-18-28-48)53(76-35-47-25-15-9-16-26-47)51(85-65)39-73-34-46-23-13-8-14-24-46/h7-32,51-62,64-66H,1,33-40H2,2-6H3/t51-,52-,53+,54-,55+,56+,57+,58+,59+,60-,61-,62-,64-,65-,66-/m1/s1
InChIKey XASMQBNSWBVUNE-XEXRERQXSA-N
Mol Weight 1219.3 g/mol
Molecular Formula C66H74O22
Exact Mass 1218.467174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47qXtFaIlvO
Name BENZYL[ALLYL-2,3,6,2',3'-PENTA-O-ACETYL-4'-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-BETA-CELLOBIOSIDE]URONATE
Comments 2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C66H74O22
InChI InChI=1S/C66H74O22/c1-7-33-74-64-61(82-44(5)70)56(80-42(3)68)54(52(84-64)40-75-41(2)67)86-66-62(83-45(6)71)58(81-43(4)69)57(59(88-66)63(72)79-38-50-31-21-12-22-32-50)87-65-60(78-37-49-29-19-11-20-30-49)55(77-36-48-27-17-10-18-28-48)53(76-35-47-25-15-9-16-26-47)51(85-65)39-73-34-46-23-13-8-14-24-46/h7-32,51-62,64-66H,1,33-40H2,2-6H3/t51-,52-,53+,54-,55+,56+,57+,58+,59+,60-,61-,62-,64-,65-,66-/m1/s1
InChIKey XASMQBNSWBVUNE-XEXRERQXSA-N
Instrument Name Bruker AM-300
Literature Reference A.YA.CHERNYAK, K.V.ANTONOV (1992) Bioorganich.Khim.(Russ. Lang.): v.18, N5, 716-725.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d