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METHYL-O-(4,6-DI-O-ACETYL-2,3-DI-O-BENZYL-BETA-D-GALACTOPYRANOSYL)-(1->6)-2,3,4-TRI-O-BENZYL-ALPHA-GLUCOPYRANOSIDE
SpectraBase Compound ID EgfPPtL9x4V
InChI InChI=1S/C52H58O13/c1-36(53)56-34-44-46(63-37(2)54)48(59-31-40-23-13-6-14-24-40)50(61-33-42-27-17-8-18-28-42)52(65-44)62-35-43-45(57-29-38-19-9-4-10-20-38)47(58-30-39-21-11-5-12-22-39)49(51(55-3)64-43)60-32-41-25-15-7-16-26-41/h4-28,43-52H,29-35H2,1-3H3/t43-,44+,45-,46-,47+,48-,49-,50+,51+,52+/m0/s1
InChIKey OEHKQIVXPRTHPZ-DZTQHAIISA-N
Mol Weight 891.0 g/mol
Molecular Formula C52H58O13
Exact Mass 890.387742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BaGVly5dUDB
Name METHYL-O-(4,6-DI-O-ACETYL-2,3-DI-O-BENZYL-BETA-D-GALACTOPYRANOSYL)-(1->6)-2,3,4-TRI-O-BENZYL-ALPHA-GLUCOPYRANOSIDE
Compound Number S4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H58O13
InChI InChI=1S/C52H58O13/c1-36(53)56-34-44-46(63-37(2)54)48(59-31-40-23-13-6-14-24-40)50(61-33-42-27-17-8-18-28-42)52(65-44)62-35-43-45(57-29-38-19-9-4-10-20-38)47(58-30-39-21-11-5-12-22-39)49(51(55-3)64-43)60-32-41-25-15-7-16-26-41/h4-28,43-52H,29-35H2,1-3H3/t43-,44+,45-,46-,47+,48-,49-,50+,51+,52+/m0/s1
InChIKey OEHKQIVXPRTHPZ-DZTQHAIISA-N
Literature Reference Author A.E.CHRISTINA,J.A.MUNS,J.Q.A.OLIVIER,L.VISSER,B.HAGEN,L.J.V. D.BOS,H.S.OVERKLEEFT
Literature Reference Citation EUR.J.ORG.CHEM.,2012,5729(2012)
Literature Reference DOI 10.1002/ejoc.201200717
Molecular Weight 891.025 g/mol
Solvent CDCl3
Source File Reference UWLU83873