![N-ACETYL-N-[3-THIO-(2-AMINOETHYL)]-PROPYL-(BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSYLAMINE](/api/spectrum/26vlpqq5rU6/structure.png?h=300&w=458 "N-ACETYL-N-[3-THIO-(2-AMINOETHYL)]-PROPYL-(BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSYLAMINE")
| SpectraBase Compound ID | 20O0bCJyKY4 |
|---|---|
| InChI | InChI=1S/2C19H36N2O11S/c2*1-9(24)21(4-2-5-33-6-3-20)18-15(28)14(27)17(11(8-23)30-18)32-19-16(29)13(26)12(25)10(7-22)31-19/h2*10-19,22-23,25-29H,2-8,20H2,1H3/t2*10-,11-,12+,13+,14-,15-,16-,17-,18-,19+/m00/s1 |
| InChIKey | QCYHEYPZWLDINS-WWCSXIFESA-N |
| Mol Weight | 1001.1 g/mol |
| Molecular Formula | C38H72N4O22S2 |
| Exact Mass | 1000.407962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 26vlpqq5rU6 |
|---|---|
| Name | N-ACETYL-N-[3-THIO-(2-AMINOETHYL)]-PROPYL-(BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSYLAMINE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H72N4O22S2 |
| InChI | InChI=1S/2C19H36N2O11S/c2*1-9(24)21(4-2-5-33-6-3-20)18-15(28)14(27)17(11(8-23)30-18)32-19-16(29)13(26)12(25)10(7-22)31-19/h2*10-19,22-23,25-29H,2-8,20H2,1H3/t2*10-,11-,12+,13+,14-,15-,16-,17-,18-,19+/m00/s1 |
| InChIKey | QCYHEYPZWLDINS-WWCSXIFESA-N |
| Literature Reference Author | D.RAMOS,P.ROLLIN,W.KLAFFKE |
| Literature Reference Citation | J.ORG.CHEM.,66,2948(2001) |
| Literature Reference DOI | 10.1021/jo001439c |
| Molecular Weight | 1001.123 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN26233 |