![#11;[6-[4-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-2,3-DI-O-BENZYL-1-ETHYLTHIO-BETA-D-GLUCOPYRANOS-6-YL]-6-OXOHEXYL]-1-METHYL-1H-IMIDAZOL-3-IUM-HEXA](/api/spectrum/GtGSgS5qBVZ/structure.png?h=300&w=458 "#11;[6-[4-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-2,3-DI-O-BENZYL-1-ETHYLTHIO-BETA-D-GLUCOPYRANOS-6-YL]-6-OXOHEXYL]-1-METHYL-1H-IMIDAZOL-3-IUM-HEXA")
| SpectraBase Compound ID | K88HPEA4F1y |
|---|---|
| InChI | InChI=1S/C66H77N2O11S.F6P/c1-3-80-66-64(76-46-55-35-21-9-22-36-55)62(74-44-53-31-17-7-18-32-53)60(57(78-66)48-71-58(69)37-23-10-24-38-68-40-39-67(2)49-68)79-65-63(75-45-54-33-19-8-20-34-54)61(73-43-52-29-15-6-16-30-52)59(72-42-51-27-13-5-14-28-51)56(77-65)47-70-41-50-25-11-4-12-26-50;1-7(2,3,4,5)6/h4-9,11-22,25-36,39-40,49,56-57,59-66H,3,10,23-24,37-38,41-48H2,1-2H3;/q+1;-1/t56-,57-,59+,60-,61+,62+,63-,64-,65-,66+;/m1./s1 |
| InChIKey | IZCYUNAQCXUZKX-GOZXSRDDSA-N |
| Mol Weight | 1251.4 g/mol |
| Molecular Formula | C66H77F6N2O11PS |
| Exact Mass | 1250.488988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtGSgS5qBVZ |
|---|---|
| Name | #11;[6-[4-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-2,3-DI-O-BENZYL-1-ETHYLTHIO-BETA-D-GLUCOPYRANOS-6-YL]-6-OXOHEXYL]-1-METHYL-1H-IMIDAZOL-3-IUM-HEXA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H77F6N2O11PS |
| InChI | InChI=1S/C66H77N2O11S.F6P/c1-3-80-66-64(76-46-55-35-21-9-22-36-55)62(74-44-53-31-17-7-18-32-53)60(57(78-66)48-71-58(69)37-23-10-24-38-68-40-39-67(2)49-68)79-65-63(75-45-54-33-19-8-20-34-54)61(73-43-52-29-15-6-16-30-52)59(72-42-51-27-13-5-14-28-51)56(77-65)47-70-41-50-25-11-4-12-26-50;1-7(2,3,4,5)6/h4-9,11-22,25-36,39-40,49,56-57,59-66H,3,10,23-24,37-38,41-48H2,1-2H3;/q+1;-1/t56-,57-,59+,60-,61+,62+,63-,64-,65-,66+;/m1./s1 |
| InChIKey | IZCYUNAQCXUZKX-GOZXSRDDSA-N |
| Literature Reference Author | M.PEPIN,M.HUBERT-ROUX,C.MARTIN,F.GUILLEN,C.LANGE,G.GOUHIER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2010,6366(2010) |
| Literature Reference DOI | 10.1002/ejoc.201000754 |
| Molecular Weight | 1251.368 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU85729 |