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3-O-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-D-GLUCOPYRANOSIDE;MIXTURE
SpectraBase Compound ID 39NMbdvGcP1
InChI InChI=1S/2C40H38O15/c2*41-21-27-29(42)32(30(43)39(48)50-27)55-40-34(54-38(47)26-19-11-4-12-20-26)33(53-37(46)25-17-9-3-10-18-25)31(52-36(45)24-15-7-2-8-16-24)28(51-40)22-49-35(44)23-13-5-1-6-14-23/h2*1-20,27-34,39-43,48H,21-22H2/t27-,28+,29-,30-,31+,32+,33-,34+,39+,40-;27-,28+,29-,30-,31+,32+,33-,34+,39-,40-/m00/s1
InChIKey MYTNLIJAWFSYLF-PXCLLSFESA-N
Mol Weight 1517.5 g/mol
Molecular Formula C80H76O30
Exact Mass 1516.442141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FMfcv0x9m8
Name 3-O-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-D-GLUCOPYRANOSIDE;MIXTURE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C80H76O30
InChI InChI=1S/2C40H38O15/c2*41-21-27-29(42)32(30(43)39(48)50-27)55-40-34(54-38(47)26-19-11-4-12-20-26)33(53-37(46)25-17-9-3-10-18-25)31(52-36(45)24-15-7-2-8-16-24)28(51-40)22-49-35(44)23-13-5-1-6-14-23/h2*1-20,27-34,39-43,48H,21-22H2/t27-,28+,29-,30-,31+,32+,33-,34+,39+,40-;27-,28+,29-,30-,31+,32+,33-,34+,39-,40-/m00/s1
InChIKey MYTNLIJAWFSYLF-PXCLLSFESA-N
Literature Reference Author F.JAMOIS,F.L.GOFFIC,J.C.YVIN,D.PLUSQUELLEC,V.FERRIERES
Literature Reference Citation OPEN.GLYCOSCI.,1,19(2008)
Literature Reference DOI 10.2174/1875398100801010019
Molecular Weight 1517.465 g/mol
Solvent C5D5N
Source File Reference UWBT13424