![#24;N-ACETYL-N-[3-THIO-(2-AMINOETHYL)]-PROPYL-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-(1->3)-(BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSYLAM](/api/spectrum/GfpGuOHZeVb/structure.png?h=300&w=458 "#24;N-ACETYL-N-[3-THIO-(2-AMINOETHYL)]-PROPYL-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-(1->3)-(BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSYLAM")
| SpectraBase Compound ID | A7VG8SXNWXc |
|---|---|
| InChI | InChI=1S/C53H70N2O16S/c1-34(58)55(24-14-25-72-26-23-54)51-44(61)43(60)46(40(28-57)67-51)70-52-45(62)48(42(59)39(27-56)68-52)71-53-50(66-32-38-21-12-5-13-22-38)49(65-31-37-19-10-4-11-20-37)47(64-30-36-17-8-3-9-18-36)41(69-53)33-63-29-35-15-6-2-7-16-35/h2-13,15-22,39-53,56-57,59-62H,14,23-33,54H2,1H3/t39-,40-,41-,42+,43-,44-,45-,46-,47+,48+,49+,50-,51-,52+,53-/m1/s1 |
| InChIKey | HHQSZRIHDCRILK-SLGJIELNSA-N |
| Mol Weight | 1023.2 g/mol |
| Molecular Formula | C53H70N2O16S |
| Exact Mass | 1022.444605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfpGuOHZeVb |
|---|---|
| Name | #24;N-ACETYL-N-[3-THIO-(2-AMINOETHYL)]-PROPYL-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-(1->3)-(BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSYLAM |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H70N2O16S |
| InChI | InChI=1S/C53H70N2O16S/c1-34(58)55(24-14-25-72-26-23-54)51-44(61)43(60)46(40(28-57)67-51)70-52-45(62)48(42(59)39(27-56)68-52)71-53-50(66-32-38-21-12-5-13-22-38)49(65-31-37-19-10-4-11-20-37)47(64-30-36-17-8-3-9-18-36)41(69-53)33-63-29-35-15-6-2-7-16-35/h2-13,15-22,39-53,56-57,59-62H,14,23-33,54H2,1H3/t39-,40-,41-,42+,43-,44-,45-,46-,47+,48+,49+,50-,51-,52+,53-/m1/s1 |
| InChIKey | HHQSZRIHDCRILK-SLGJIELNSA-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 | 1023.203 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN26234 |