![AMMONIUM-4-AMINO-4-DEOXY-BETA-L-ARABINOPYRANOSYL-(1->8)-[3-(3-MERCAPTOPROPYLTHIO)-PROPYL-3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSIDE]-ONATE](/api/spectrum/7iUZ8RUY3Bg/structure.png?h=300&w=458 "AMMONIUM-4-AMINO-4-DEOXY-BETA-L-ARABINOPYRANOSYL-(1->8)-[3-(3-MERCAPTOPROPYLTHIO)-PROPYL-3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSIDE]-ONATE")
| SpectraBase Compound ID | 3WkgzBPU5uP |
|---|---|
| InChI | InChI=1S/C19H35NO11S2.H3N/c20-10-8-28-17(15(25)13(10)23)29-9-12(22)16-14(24)11(21)7-19(31-16,18(26)27)30-3-1-5-33-6-2-4-32;/h10-17,21-25,32H,1-9,20H2,(H,26,27);1H3/t10-,11+,12+,13-,14+,15+,16+,17+,19+;/m0./s1 |
| InChIKey | MBFIRRAPWAICBE-DVDUERCTSA-N |
| Mol Weight | 530.604 g/mol |
| Molecular Formula | C19H34N2O11S2 |
| Exact Mass | 530.160402 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7iUZ8RUY3Bg |
|---|---|
| Name | AMMONIUM-4-AMINO-4-DEOXY-BETA-L-ARABINOPYRANOSYL-(1->8)-[3-(3-MERCAPTOPROPYLTHIO)-PROPYL-3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSIDE]-ONATE |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H34N2O11S2 |
| InChI | InChI=1S/C19H35NO11S2.H3N/c20-10-8-28-17(15(25)13(10)23)29-9-12(22)16-14(24)11(21)7-19(31-16,18(26)27)30-3-1-5-33-6-2-4-32;/h10-17,21-25,32H,1-9,20H2,(H,26,27);1H3/t10-,11+,12+,13-,14+,15+,16+,17+,19+;/m0./s1 |
| InChIKey | MBFIRRAPWAICBE-DVDUERCTSA-N |
| Literature Reference Author | M.BLAUKOPF,B.MUELLER,A.HOFINGER,P.KOSMA |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2012,119(2012) |
| Literature Reference DOI | 10.1002/ejoc.201101171 |
| Molecular Weight | 530.606 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU83356 |