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Benzyl (benzyl 3,4-o-isopropylidene-D-galactopyranosid)uronate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzyl (benzyl 3,4-o-isopropylidene-D-galactopyranosid)uronate
SpectraBase Compound ID AEcZfbxc7Us
InChI InChI=1S/C23H26O7/c1-23(2)29-18-17(24)22(27-14-16-11-7-4-8-12-16)28-20(19(18)30-23)21(25)26-13-15-9-5-3-6-10-15/h3-12,17-20,22,24H,13-14H2,1-2H3/t17-,18-,19-,20+,22+/m1/s1
InChIKey YLRKTHOSHNJUEP-YHZBMZHBSA-N
Mol Weight 414.45 g/mol
Molecular Formula C23H26O7
Exact Mass 414.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jj7Obm8RAhm
Name Benzyl (benzyl 3,4-o-isopropylidene-D-galactopyranosid)uronate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.167853170 u
Formula C23H26O7
InChI InChI=1S/C23H26O7/c1-23(2)29-18-17(24)22(27-14-16-11-7-4-8-12-16)28-20(19(18)30-23)21(25)26-13-15-9-5-3-6-10-15/h3-12,17-20,22,24H,13-14H2,1-2H3/t17-,18-,19-,20+,22+/m1/s1
InChIKey YLRKTHOSHNJUEP-YHZBMZHBSA-N
Molecular Weight 414.454 g/mol
SMILES [C@@]12([C@@]([C@@](O)([C@](O[C@@]2(C(OCC2=CC=CC=C2)=O)[H])(OCC2=CC=CC=C2)[H])[H])(OC(O1)(C)C)[H])[H]