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(3-Chloropropyl)-2,3,4,6-tetra-O-benzyl-b-d-galactopyranoside

View entire compound with spectra: 2 NMR

(3-Chloropropyl)-2,3,4,6-tetra-O-benzyl-b-d-galactopyranoside
SpectraBase Compound ID w3OVGmYBjz
InChI InChI=1S/C37H41ClO6/c38-22-13-23-40-37-36(43-27-32-20-11-4-12-21-32)35(42-26-31-18-9-3-10-19-31)34(41-25-30-16-7-2-8-17-30)33(44-37)28-39-24-29-14-5-1-6-15-29/h1-12,14-21,33-37H,13,22-28H2/t33-,34-,35-,36-,37+/m0/s1
InChIKey YEDLEDYLILGZJH-KWKSCYRGSA-N
Mol Weight 617.2 g/mol
Molecular Formula C37H41ClO6
Exact Mass 616.259167 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kw2G6SOGY4w
Name (3-Chloropropyl)-2,3,4,6-tetra-o-benzyl-B-D-galactopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 616.259166734 u
Formula C37H41ClO6
InChI InChI=1S/C37H41ClO6/c38-22-13-23-40-37-36(43-27-32-20-11-4-12-21-32)35(42-26-31-18-9-3-10-19-31)34(41-25-30-16-7-2-8-17-30)33(44-37)28-39-24-29-14-5-1-6-15-29/h1-12,14-21,33-37H,13,22-28H2/t33-,34-,35-,36-,37+/m0/s1
InChIKey YEDLEDYLILGZJH-KWKSCYRGSA-N
Molecular Weight 617.182 g/mol
SMILES [C@]1([C@@](O[C@]([C@]([C@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCCCCl)[H])(COCc1ccccc1)[H])(OCc1ccccc1)[H]