John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BuhJFPxNLzg SpectraBase Spectrum ID=1jljVCo3tje

(accessed ).
#45;O-[4,6-O-[(S)-1-CARBOXYETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-O-[4,6-O-[(S)-1-CARBOXYETHYLIDENE]-BETA-D-GLUCOPYRANOSYL]-(1->4)-(1->6)-O-ALP
SpectraBase Compound ID BuhJFPxNLzg
InChI InChI=1S/C37H58O30/c1-36(34(50)51)56-7-12-25(66-36)27(54-3)22(48)32(61-12)64-28-23(49)33(62-13-8-57-37(2,35(52)53)67-26(13)28)63-24-10(5-39)59-29(21(47)18(24)44)55-6-11-15(41)17(43)20(46)31(60-11)65-30-19(45)16(42)14(40)9(4-38)58-30/h9-33,38-49H,4-8H2,1-3H3,(H,50,51)(H,52,53)/t9-,10-,11+,12+,13-,14-,15+,16+,17-,18-,19-,20+,21-,22+,23-,24-,25+,26-,27+,28-,29-,30-,31+,32-,33+,36-,37+/m0/s1
InChIKey SFSFLLUUTWMCAG-NXKUDSJUSA-N
Mol Weight 982.8 g/mol
Molecular Formula C37H58O30
Exact Mass 982.301291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jljVCo3tje
Name #45;O-[4,6-O-[(S)-1-CARBOXYETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-O-[4,6-O-[(S)-1-CARBOXYETHYLIDENE]-BETA-D-GLUCOPYRANOSYL]-(1->4)-(1->6)-O-ALP
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H58O30
InChI InChI=1S/C37H58O30/c1-36(34(50)51)56-7-12-25(66-36)27(54-3)22(48)32(61-12)64-28-23(49)33(62-13-8-57-37(2,35(52)53)67-26(13)28)63-24-10(5-39)59-29(21(47)18(24)44)55-6-11-15(41)17(43)20(46)31(60-11)65-30-19(45)16(42)14(40)9(4-38)58-30/h9-33,38-49H,4-8H2,1-3H3,(H,50,51)(H,52,53)/t9-,10-,11+,12+,13-,14-,15+,16+,17-,18-,19-,20+,21-,22+,23-,24-,25+,26-,27+,28-,29-,30-,31+,32-,33+,36-,37+/m0/s1
InChIKey SFSFLLUUTWMCAG-NXKUDSJUSA-N
Literature Reference Author T.ZIEGLER,E.ECKHARDT,V.BIRAULT
Literature Reference Citation J.ORG.CHEM.,58,1090(1993)
Literature Reference DOI 10.1021/jo00057a021
Molecular Weight 982.850 g/mol
Solvent D2O
Source File Reference UWCS20226
SpectraBase Batch ID CEoug8uAgby