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Methyl 2,3,4-tribenzyl-6-anisoyl-.beta.-D-galactopyranoside

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Methyl 2,3,4-tribenzyl-6-anisoyl-.beta.-D-galactopyranoside
SpectraBase Compound ID 4fhZhQykxhi
InChI InChI=1S/C36H38O8/c1-38-30-20-18-29(19-21-30)35(37)43-25-31-32(40-22-26-12-6-3-7-13-26)33(41-23-27-14-8-4-9-15-27)34(36(39-2)44-31)42-24-28-16-10-5-11-17-28/h3-21,31-34,36H,22-25H2,1-2H3/t31-,32+,33+,34-,36-/m1/s1
InChIKey MXOINOHUYNHXGE-YKMXLWNGSA-N
Mol Weight 598.7 g/mol
Molecular Formula C36H38O8
Exact Mass 598.256668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID U2TWA3IYb7
Name Methyl 2,3,4-tribenzyl-6-anisoyl-.beta.-D-galactopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 598.256668176 u
Formula C36H38O8
InChI InChI=1S/C36H38O8/c1-38-30-20-18-29(19-21-30)35(37)43-25-31-32(40-22-26-12-6-3-7-13-26)33(41-23-27-14-8-4-9-15-27)34(36(39-2)44-31)42-24-28-16-10-5-11-17-28/h3-21,31-34,36H,22-25H2,1-2H3/t31-,32+,33+,34-,36-/m1/s1
InChIKey MXOINOHUYNHXGE-YKMXLWNGSA-N
Molecular Weight 598.692 g/mol
SMILES [C@]1([C@](O[C@]([C@@]([C@]1(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(OC)[H])(COC(=O)C1=CC=C(C=C1)OC)[H])(OCC1=CC=CC=C1)[H]