| SpectraBase Compound ID | 17zKzaW5zEJ |
|---|---|
| InChI | InChI=1S/C52H64N2O24S2/c1-27(55)53-43-39(71-31(5)59)23-51(49(65)67-11,77-47(43)45(75-35(9)63)41(73-33(7)61)25-69-29(3)57)79-21-13-15-37-17-19-38(20-18-37)16-14-22-80-52(50(66)68-12)24-40(72-32(6)60)44(54-28(2)56)48(78-52)46(76-36(10)64)42(74-34(8)62)26-70-30(4)58/h17-20,39-48H,21-26H2,1-12H3,(H,53,55)(H,54,56)/t39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,51-,52-/m0/s1 |
| InChIKey | NSPJXQSGADUEKL-NSTGKKCVSA-N |
| Mol Weight | 1165.2 g/mol |
| Molecular Formula | C52H64N2O24S2 |
| Exact Mass | 1164.329043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35b1MkJXPJO |
|---|---|
| Name | 1,4-BIS-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLTHIOONATE-PROP-2-YNYL)-BENZENE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H64N2O24S2 |
| InChI | InChI=1S/C52H64N2O24S2/c1-27(55)53-43-39(71-31(5)59)23-51(49(65)67-11,77-47(43)45(75-35(9)63)41(73-33(7)61)25-69-29(3)57)79-21-13-15-37-17-19-38(20-18-37)16-14-22-80-52(50(66)68-12)24-40(72-32(6)60)44(54-28(2)56)48(78-52)46(76-36(10)64)42(74-34(8)62)26-70-30(4)58/h17-20,39-48H,21-26H2,1-12H3,(H,53,55)(H,54,56)/t39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,51-,52-/m0/s1 |
| InChIKey | NSPJXQSGADUEKL-NSTGKKCVSA-N |
| Literature Reference Author | Z.GAN,R.ROY |
| Literature Reference Citation | CAN.J.CHEM.,80,908(2002) |
| Literature Reference DOI | 10.1139/v02-053 |
| Molecular Weight | 1165.199 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29942 |