![3,5-BIS-[3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLTHIO)-PROPIONAMIDO]-PROPOXY]-BENZOIC-ACID](/api/spectrum/HcPCTG5odc/structure.png?h=300&w=458 "3,5-BIS-[3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLTHIO)-PROPIONAMIDO]-PROPOXY]-BENZOIC-ACID")
| SpectraBase Compound ID | HuYQtLBXv0M |
|---|---|
| InChI | InChI=1S/C47H64N2O24S2/c1-24(50)64-22-35-39(66-26(3)52)41(68-28(5)54)43(70-30(7)56)46(72-35)74-17-11-37(58)48-13-9-15-62-33-19-32(45(60)61)20-34(21-33)63-16-10-14-49-38(59)12-18-75-47-44(71-31(8)57)42(69-29(6)55)40(67-27(4)53)36(73-47)23-65-25(2)51/h19-21,35-36,39-44,46-47H,9-18,22-23H2,1-8H3,(H,48,58)(H,49,59)(H,60,61)/t35-,36+,39-,40+,41+,42-,43-,44+,46+,47- |
| InChIKey | KNZKBCTVHRJTMN-PAQSVQSNSA-N |
| Mol Weight | 1105.1 g/mol |
| Molecular Formula | C47H64N2O24S2 |
| Exact Mass | 1104.329043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcPCTG5odc |
|---|---|
| Name | 3,5-BIS-[3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLTHIO)-PROPIONAMIDO]-PROPOXY]-BENZOIC-ACID |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H64N2O24S2 |
| InChI | InChI=1S/C47H64N2O24S2/c1-24(50)64-22-35-39(66-26(3)52)41(68-28(5)54)43(70-30(7)56)46(72-35)74-17-11-37(58)48-13-9-15-62-33-19-32(45(60)61)20-34(21-33)63-16-10-14-49-38(59)12-18-75-47-44(71-31(8)57)42(69-29(6)55)40(67-27(4)53)36(73-47)23-65-25(2)51/h19-21,35-36,39-44,46-47H,9-18,22-23H2,1-8H3,(H,48,58)(H,49,59)(H,60,61)/t35-,36+,39-,40+,41+,42-,43-,44+,46+,47- |
| InChIKey | KNZKBCTVHRJTMN-PAQSVQSNSA-N |
| Literature Reference Author | A.ZISTLER,S.KOCH,A.D.SCHLUETER |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,501(1999) |
| Literature Reference DOI | 10.1039/a808373h |
| Molecular Weight | 1105.144 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE3452 |