![1-N-[(5S)-(TERT.-BUTOXYCARBONYLAMINO)-5-(METHOXYCARBONYL)-PENTYL]-AMINO-3-ACETAMIDO-1,3-DIDEOXY-ALPHA-D-GLUCO-HEPT-2-ULO-PYRANOSIDE](/api/spectrum/6b2n9bLpDYs/structure.png?h=300&w=458 "1-N-[(5S)-(TERT.-BUTOXYCARBONYLAMINO)-5-(METHOXYCARBONYL)-PENTYL]-AMINO-3-ACETAMIDO-1,3-DIDEOXY-ALPHA-D-GLUCO-HEPT-2-ULO-PYRANOSIDE")
| SpectraBase Compound ID | 8Qo4Qc8XNLS |
|---|---|
| InChI | InChI=1S/C21H39N3O10/c1-12(26)23-17-16(28)15(27)14(10-25)33-21(17,31)11-22-9-7-6-8-13(18(29)32-5)24-19(30)34-20(2,3)4/h13-17,22,25,27-28,31H,6-11H2,1-5H3,(H,23,26)(H,24,30)/t13-,14+,15+,16-,17+,21-/m0/s1 |
| InChIKey | WXFBAZTWKZHOPR-HRNGWTLBSA-N |
| Mol Weight | 493.6 g/mol |
| Molecular Formula | C21H39N3O10 |
| Exact Mass | 493.263544 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6b2n9bLpDYs |
|---|---|
| Name | 1-N-[(5S)-(TERT.-BUTOXYCARBONYLAMINO)-5-(METHOXYCARBONYL)-PENTYL]-AMINO-3-ACETAMIDO-1,3-DIDEOXY-ALPHA-D-GLUCO-HEPT-2-ULO-PYRANOSIDE |
| Compound Number | 36 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H39N3O10 |
| InChI | InChI=1S/C21H39N3O10/c1-12(26)23-17-16(28)15(27)14(10-25)33-21(17,31)11-22-9-7-6-8-13(18(29)32-5)24-19(30)34-20(2,3)4/h13-17,22,25,27-28,31H,6-11H2,1-5H3,(H,23,26)(H,24,30)/t13-,14+,15+,16-,17+,21-/m0/s1 |
| InChIKey | WXFBAZTWKZHOPR-HRNGWTLBSA-N |
| Literature Reference Author | K.GALLAS,G.POTOTSCHNIG,F.ADANITSCH,A.E.STUETZ,T.M.WRODNIGG |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1619(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.185 |
| Molecular Weight | 493.555 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR11100 |