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(6-Chloro-hex-1-yl)-2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-b-d-galactopyranoside)-b-d-glucopyranoside

View entire compound with spectra: 2 NMR

(6-Chloro-hex-1-yl)-2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-b-d-galactopyranoside)-b-d-glucopyranoside
SpectraBase Compound ID 8t8go9LDzAN
InChI InChI=1S/C32H47ClO18/c1-16(34)42-14-23-25(44-18(3)36)27(45-19(4)37)30(48-22(7)40)32(50-23)51-26-24(15-43-17(2)35)49-31(41-13-11-9-8-10-12-33)29(47-21(6)39)28(26)46-20(5)38/h23-32H,8-15H2,1-7H3/t23-,24+,25+,26+,27+,28-,29+,30-,31+,32+/m1/s1
InChIKey RHALPRFZWAGBHK-CYFMOSINSA-N
Mol Weight 755.2 g/mol
Molecular Formula C32H47ClO18
Exact Mass 754.245092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBcfCyhWs1G
Name (6-Chloro-hex-1-yl)-2,3,6-tri-o-acetyl-4-o-(2,3,4,6-tetra-o-acetyl-B-D-galactopyranoside)-B-D-glucopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 754.245092355 u
Formula C32H47ClO18
InChI InChI=1S/C32H47ClO18/c1-16(34)42-14-23-25(44-18(3)36)27(45-19(4)37)30(48-22(7)40)32(50-23)51-26-24(15-43-17(2)35)49-31(41-13-11-9-8-10-12-33)29(47-21(6)39)28(26)46-20(5)38/h23-32H,8-15H2,1-7H3/t23-,24+,25+,26+,27+,28-,29+,30-,31+,32+/m1/s1
InChIKey RHALPRFZWAGBHK-CYFMOSINSA-N
Molecular Weight 755.163 g/mol
SMILES [C@]1(O[C@]([C@@]([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(O[C@@]1([C@]([C@@]([C@](O[C@]1(COC(=O)C)[H])(OCCCCCCCl)[H])(OC(C)=O)[H])(OC(=O)C)[H])[H])[H])(COC(C)=O)[H]