For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
METHYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 8FsP9Dr55VL
InChI InChI=1S/C62H52O17S/c1-80-62-53(78-60(69)45-35-21-8-22-36-45)51(76-58(67)43-31-17-6-18-32-43)49(47(73-62)38-71-55(64)40-25-11-3-12-26-40)79-61-52(77-59(68)44-33-19-7-20-34-44)50(75-57(66)42-29-15-5-16-30-42)48(74-56(65)41-27-13-4-14-28-41)46(72-61)37-70-54(63)39-23-9-2-10-24-39/h2-36,46-53,61-62H,37-38H2,1H3/t46-,47-,48+,49-,50+,51+,52-,53-,61+,62+/m1/s1
InChIKey IASSHMCMECBPAQ-BEEKPZMTSA-N
Mol Weight 1101.1 g/mol
Molecular Formula C62H52O17S
Exact Mass 1100.292521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AQH4FG2sLfF
Name METHYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H52O17S
InChI InChI=1S/C62H52O17S/c1-80-62-53(78-60(69)45-35-21-8-22-36-45)51(76-58(67)43-31-17-6-18-32-43)49(47(73-62)38-71-55(64)40-25-11-3-12-26-40)79-61-52(77-59(68)44-33-19-7-20-34-44)50(75-57(66)42-29-15-5-16-30-42)48(74-56(65)41-27-13-4-14-28-41)46(72-61)37-70-54(63)39-23-9-2-10-24-39/h2-36,46-53,61-62H,37-38H2,1H3/t46-,47-,48+,49-,50+,51+,52-,53-,61+,62+/m1/s1
InChIKey IASSHMCMECBPAQ-BEEKPZMTSA-N
Literature Reference Author A.MAGGI,R.MADSEN
Literature Reference Citation EUR.J.ORG.CHEM.,2013,2683(2013)
Literature Reference DOI 10.1002/ejoc.201300026
Molecular Weight 1101.145 g/mol
Solvent CDCl3
Source File Reference UWBT18534