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Methyl 2,3,4-tri-O-acetyl-.beta.,D-xylopyranosyl(1-6)-2,3,4-tri-O-benzyl-.beta.,D-gliucopyranoside
SpectraBase Compound ID 6Plv5N0Rxom
InChI InChI=1S/C39H46O13/c1-25(40)49-32-24-48-39(37(51-27(3)42)34(32)50-26(2)41)47-23-31-33(44-20-28-14-8-5-9-15-28)35(45-21-29-16-10-6-11-17-29)36(38(43-4)52-31)46-22-30-18-12-7-13-19-30/h5-19,31-39H,20-24H2,1-4H3/t31-,32-,33-,34+,35+,36-,37-,38-,39-/m1/s1
InChIKey MAFITCOBPFQDTK-FLNSHVTMSA-N
Mol Weight 722.8 g/mol
Molecular Formula C39H46O13
Exact Mass 722.293842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dwq05aFqWAy
Name Methyl 2,3,4-tri-O-acetyl-.beta.,D-xylopyranosyl(1-6)-2,3,4-tri-O-benzyl-.beta.,D-gliucopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H46O13
InChI InChI=1S/C39H46O13/c1-25(40)49-32-24-48-39(37(51-27(3)42)34(32)50-26(2)41)47-23-31-33(44-20-28-14-8-5-9-15-28)35(45-21-29-16-10-6-11-17-29)36(38(43-4)52-31)46-22-30-18-12-7-13-19-30/h5-19,31-39H,20-24H2,1-4H3/t31-,32-,33-,34+,35+,36-,37-,38-,39-/m1/s1
InChIKey MAFITCOBPFQDTK-FLNSHVTMSA-N
Molecular Weight 722.784 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)(CO[C@]1(OC[C@@]1([C@]([C@](OCc2ccccc2)([C@]([C@@](O1)(OC)[H])(OCc1ccccc1)[H])[H])(OCc1ccccc1)[H])[H])[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0a4i-0090100000-9ff7df41920692ee1b2e
Source of Spectrum E1-38-414-19
Wiley ID 1518238