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[4-O-ACETOXYMETHYL-(1-(R,S)-ETHYLOXY)]-PHENYL-3,4-DI-O-ACETYL-2,6-DI-O-BENZOYL-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID HhBzgnVjLNM
InChI InChI=1S/2C35H36O12/c2*1-21(26-17-15-25(16-18-26)19-41-22(2)36)43-35-32(47-34(40)28-13-9-6-10-14-28)31(45-24(4)38)30(44-23(3)37)29(46-35)20-42-33(39)27-11-7-5-8-12-27/h2*5-18,21,29-32,35H,19-20H2,1-4H3/t2*21?,29-,30+,31+,32-,35-/m00/s1
InChIKey PKZGSEZHIRXOEC-QMOUVSATSA-N
Mol Weight 1297.3 g/mol
Molecular Formula C70H72O24
Exact Mass 1296.441353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vv04NGBuDU
Name [4-O-ACETOXYMETHYL-(1-(R,S)-ETHYLOXY)]-PHENYL-3,4-DI-O-ACETYL-2,6-DI-O-BENZOYL-BETA-D-GALACTOPYRANOSIDE
Compound Number 49AB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H72O24
InChI InChI=1S/2C35H36O12/c2*1-21(26-17-15-25(16-18-26)19-41-22(2)36)43-35-32(47-34(40)28-13-9-6-10-14-28)31(45-24(4)38)30(44-23(3)37)29(46-35)20-42-33(39)27-11-7-5-8-12-27/h2*5-18,21,29-32,35H,19-20H2,1-4H3/t2*21?,29-,30+,31+,32-,35-/m00/s1
InChIKey PKZGSEZHIRXOEC-QMOUVSATSA-N
Literature Reference Author T.NUKADA,A.BERCES,D.M.WHITFIELD
Literature Reference Citation J.ORG.CHEM.,64,9030(1999)
Literature Reference DOI 10.1021/jo990712b
Molecular Weight 1297.327 g/mol
Sample ID 59905
Solvent CDCl3