![AMMONIUM-4-AMINO-4-DEOXY-BETA-L-ARABINOPYRANOSYL-(1->8)-[3-(3-MERCAPTOPROPYLTHIO)-PROPYL-D-GLYCERO-ALPHA-D-TALO-OCT-2-ULOPYRANOSIDE]-ONATE](/api/spectrum/ERQCEFSG2kY/structure.png?h=300&w=458 "AMMONIUM-4-AMINO-4-DEOXY-BETA-L-ARABINOPYRANOSYL-(1->8)-[3-(3-MERCAPTOPROPYLTHIO)-PROPYL-D-GLYCERO-ALPHA-D-TALO-OCT-2-ULOPYRANOSIDE]-ONATE")
| SpectraBase Compound ID | AiVhblXyupb |
|---|---|
| InChI | InChI=1S/C19H35NO12S2.N/c20-9-7-29-17(14(25)11(9)22)30-8-10(21)15-12(23)13(24)16(26)19(32-15,18(27)28)31-3-1-5-34-6-2-4-33;/h9-17,21-26,33H,1-8,20H2,(H,27,28);/q;+1/p-1/t9-,10+,11-,12+,13-,14+,15+,16-,17+,19+;/m0./s1 |
| InChIKey | ZKFPVZCOIKDGMK-IVMYPHSFSA-M |
| Mol Weight | 546.603 g/mol |
| Molecular Formula | C19H34N2O12S2 |
| Exact Mass | 546.155317 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERQCEFSG2kY |
|---|---|
| Name | AMMONIUM-4-AMINO-4-DEOXY-BETA-L-ARABINOPYRANOSYL-(1->8)-[3-(3-MERCAPTOPROPYLTHIO)-PROPYL-D-GLYCERO-ALPHA-D-TALO-OCT-2-ULOPYRANOSIDE]-ONATE |
| Compound Number | 33 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H34N2O12S2 |
| InChI | InChI=1S/C19H35NO12S2.N/c20-9-7-29-17(14(25)11(9)22)30-8-10(21)15-12(23)13(24)16(26)19(32-15,18(27)28)31-3-1-5-34-6-2-4-33;/h9-17,21-26,33H,1-8,20H2,(H,27,28);/q;+1/p-1/t9-,10+,11-,12+,13-,14+,15+,16-,17+,19+;/m0./s1 |
| InChIKey | ZKFPVZCOIKDGMK-IVMYPHSFSA-M |
| 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 | 546.605 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU83363 |