| SpectraBase Compound ID | I9dbS6vWRMe |
|---|---|
| InChI | InChI=1S/C16H23N5O7/c17-16(18)19-6-2-4-9(14(26)21-10(7-22)15(27)28)20-13(25)8-3-1-5-11(23)12(8)24/h1,3,5,9-10,22-24H,2,4,6-7H2,(H,20,25)(H,21,26)(H,27,28)(H4,17,18,19)/t9-,10+/m1/s1 |
| InChIKey | LXNCWECCTQQXPQ-ZJUUUORDSA-N |
| Mol Weight | 397.39 g/mol |
| Molecular Formula | C16H23N5O7 |
| Exact Mass | 397.159748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85942wf3Cey |
|---|---|
| Name | VANCHROBACTIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H23N5O7 |
| InChI | InChI=1S/C16H23N5O7/c17-16(18)19-6-2-4-9(14(26)21-10(7-22)15(27)28)20-13(25)8-3-1-5-11(23)12(8)24/h1,3,5,9-10,22-24H,2,4,6-7H2,(H,20,25)(H,21,26)(H,27,28)(H4,17,18,19)/t9-,10+/m1/s1 |
| InChIKey | LXNCWECCTQQXPQ-ZJUUUORDSA-N |
| Literature Reference Author | M.SANDY,A.HAN,J.BLUNT,M.MUNRO,M.HAYGOOD,A.BUTLER |
| Literature Reference Citation | J.NAT.PROD.,73,1038(2010) |
| Literature Reference DOI | 10.1021/np900750g |
| Molecular Weight | 397.388 g/mol |
| Sample ID | 35623 |
| Solvent | CD3OD |