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METHYL-(METHYL-2,3-DI-O-BENZYL-4-(2,4-DI-O-BENZYL-ALPHA-D-GALACTOPYRANOSIDURONO-6,3-LACTONE)-ALPHA-D-GLUCOPYRANOSIDE)-URONATE

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METHYL-(METHYL-2,3-DI-O-BENZYL-4-(2,4-DI-O-BENZYL-ALPHA-D-GALACTOPYRANOSIDURONO-6,3-LACTONE)-ALPHA-D-GLUCOPYRANOSIDE)-URONATE
SpectraBase Compound ID 4nZJIuhgtrL
InChI InChI=1S/C42H44O12/c1-45-39(43)36-33(32(48-24-28-17-9-4-10-18-28)37(41(46-2)53-36)49-25-29-19-11-5-12-20-29)52-42-38(50-26-30-21-13-6-14-22-30)34-31(35(54-42)40(44)51-34)47-23-27-15-7-3-8-16-27/h3-22,31-38,41-42H,23-26H2,1-2H3/t31-,32-,33-,34-,35+,36-,37+,38-,41-,42+/m1/s1
InChIKey MCLRLQGUDAZCGK-HKINDGPYSA-N
Mol Weight 740.8 g/mol
Molecular Formula C42H44O12
Exact Mass 740.283277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFXL5gLWfYt
Name METHYL-(METHYL-2,3-DI-O-BENZYL-4-(2,4-DI-O-BENZYL-ALPHA-D-GALACTOPYRANOSIDURONO-6,3-LACTONE)-ALPHA-D-GLUCOPYRANOSIDE)-URONATE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H44O12
InChI InChI=1S/C42H44O12/c1-45-39(43)36-33(32(48-24-28-17-9-4-10-18-28)37(41(46-2)53-36)49-25-29-19-11-5-12-20-29)52-42-38(50-26-30-21-13-6-14-22-30)34-31(35(54-42)40(44)51-34)47-23-27-15-7-3-8-16-27/h3-22,31-38,41-42H,23-26H2,1-2H3/t31-,32-,33-,34-,35+,36-,37+,38-,41-,42+/m1/s1
InChIKey MCLRLQGUDAZCGK-HKINDGPYSA-N
Literature Reference Author L.J.V.D.BOS,R.E.J.N.LITJENS,R.J.B.H.N.V.D.BERG,H.S.OVERKLEEF T,G.A.V.D.MAREL
Literature Reference Citation ORG.LETTERS,7,2007(2005)
Literature Reference DOI 10.1021/ol050491y
Molecular Weight 740.804 g/mol
Sample ID 42811
Solvent CDCl3