![Allyl 3,5-bis{3-[3-(2,3,4,6-tetra-O-acetyl-.beta.,D-glucopyranosylthio)propionamide]propoxy}benzoate](/api/spectrum/8cpiXUCpCm6/structure.png?h=300&w=458 "Allyl 3,5-bis{3-[3-(2,3,4,6-tetra-O-acetyl-.beta.,D-glucopyranosylthio)propionamide]propoxy}benzoate")
| SpectraBase Compound ID | JTl1orfA2cm |
|---|---|
| InChI | InChI=1S/C50H68N2O24S2/c1-10-17-66-48(63)35-22-36(64-18-11-15-51-40(61)13-20-77-49-46(73-33(8)59)44(71-31(6)57)42(69-29(4)55)38(75-49)25-67-27(2)53)24-37(23-35)65-19-12-16-52-41(62)14-21-78-50-47(74-34(9)60)45(72-32(7)58)43(70-30(5)56)39(76-50)26-68-28(3)54/h10,22-24,38-39,42-47,49-50H,1,11-21,25-26H2,2-9H3,(H,51,61)(H,52,62)/t38-,39+,42-,43+,44+,45-,46-,47+,49+,50- |
| InChIKey | CEKCTQMCSMAATD-JEQGAWLTSA-N |
| Mol Weight | 1145.2 g/mol |
| Molecular Formula | C50H68N2O24S2 |
| Exact Mass | 1144.360343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8cpiXUCpCm6 |
|---|---|
| Name | ALLYL-3,5-BIS-[3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL-THIO)-PROPIONAMIDE]-PROPOXY]-BENZOATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H68N2O24S2 |
| InChI | InChI=1S/C50H68N2O24S2/c1-10-17-66-48(63)35-22-36(64-18-11-15-51-40(61)13-20-77-49-46(73-33(8)59)44(71-31(6)57)42(69-29(4)55)38(75-49)25-67-27(2)53)24-37(23-35)65-19-12-16-52-41(62)14-21-78-50-47(74-34(9)60)45(72-32(7)58)43(70-30(5)56)39(76-50)26-68-28(3)54/h10,22-24,38-39,42-47,49-50H,1,11-21,25-26H2,2-9H3,(H,51,61)(H,52,62)/t38-,39+,42-,43+,44+,45-,46-,47+,49+,50- |
| InChIKey | CEKCTQMCSMAATD-JEQGAWLTSA-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 | 1145.209 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE3451 |