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METHYL[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 IQt72UzC9Jt
InChI InChI=1S/C60H70O22/c1-8-29-69-58-55(76-39(5)64)50(74-37(3)62)48(46(78-58)35-70-36(2)61)80-60-56(77-40(6)65)52(75-38(4)63)51(53(82-60)57(66)67-7)81-59-54(73-33-44-27-19-12-20-28-44)49(72-32-43-25-17-11-18-26-43)47(71-31-42-23-15-10-16-24-42)45(79-59)34-68-30-41-21-13-9-14-22-41/h8-28,45-56,58-60H,1,29-35H2,2-7H3/t45-,46-,47+,48-,49+,50+,51+,52+,53+,54-,55-,56-,58-,59-,60-/m1/s1
InChIKey UHLXJTXNOPPCOM-SGFHMEHYSA-N
Mol Weight 1143.2 g/mol
Molecular Formula C60H70O22
Exact Mass 1142.435874 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75pCTceyU9E
Name METHYL[ALLYL-2,3,6,2',3'-PENTA-O-ACETYL-4'-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-BETA-CELLOBIOSIDE]URONATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C60H70O22
InChI InChI=1S/C60H70O22/c1-8-29-69-58-55(76-39(5)64)50(74-37(3)62)48(46(78-58)35-70-36(2)61)80-60-56(77-40(6)65)52(75-38(4)63)51(53(82-60)57(66)67-7)81-59-54(73-33-44-27-19-12-20-28-44)49(72-32-43-25-17-11-18-26-43)47(71-31-42-23-15-10-16-24-42)45(79-59)34-68-30-41-21-13-9-14-22-41/h8-28,45-56,58-60H,1,29-35H2,2-7H3/t45-,46-,47+,48-,49+,50+,51+,52+,53+,54-,55-,56-,58-,59-,60-/m1/s1
InChIKey UHLXJTXNOPPCOM-SGFHMEHYSA-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