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METHYL 2,3,4-TRI-O-ACETYL-6-O-(3,4,6-TRI-O-BENZYL-2-O-TRICHLOROACETYL-ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 5DuZ6MqQOvX
InChI InChI=1S/C42H47Cl3O15/c1-25(46)55-34-32(58-39(50-4)38(57-27(3)48)36(34)56-26(2)47)24-54-40-37(60-41(49)42(43,44)45)35(53-22-30-18-12-7-13-19-30)33(52-21-29-16-10-6-11-17-29)31(59-40)23-51-20-28-14-8-5-9-15-28/h5-19,31-40H,20-24H2,1-4H3/t31-,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1
InChIKey FJYFCOMNSCHVHV-CVJYANPDSA-N
Mol Weight 898.2 g/mol
Molecular Formula C42H47Cl3O15
Exact Mass 896.198054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BookrPIikW
Name METHYL 2,3,4-TRI-O-ACETYL-6-O-(3,4,6-TRI-O-BENZYL-2-O-TRICHLOROACETYL-ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H47Cl3O15
InChI InChI=1S/C42H47Cl3O15/c1-25(46)55-34-32(58-39(50-4)38(57-27(3)48)36(34)56-26(2)47)24-54-40-37(60-41(49)42(43,44)45)35(53-22-30-18-12-7-13-19-30)33(52-21-29-16-10-6-11-17-29)31(59-40)23-51-20-28-14-8-5-9-15-28/h5-19,31-40H,20-24H2,1-4H3/t31-,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1
InChIKey FJYFCOMNSCHVHV-CVJYANPDSA-N
Instrument Name Bruker AM-300
Literature Reference E.M.KLIMOV, A.V.DEMCHENKO, N.N.MALYSHEVA, N.K.KOCHETKOV (1991)Bioorganich.Khim.(Russ. Lang.): v.17, N12, 1660-1664.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3