| SpectraBase Compound ID | 9cFCOwJJNfR |
|---|---|
| InChI | InChI=1S/C18H21N5O9/c1-16(29,8-24)13(26)18-15(28)20-17(30,14(27)21-18)11(6-7-31-18)32-12(25)9-2-4-10(5-3-9)22-23-19/h2-5,11,13,24,26,29-30H,6-8H2,1H3,(H,20,28)(H,21,27)/t11-,13?,16?,17+,18+/m0/s1 |
| InChIKey | MYLBYIJSCBVJFY-MAIIPRFSSA-N |
| Mol Weight | 451.39 g/mol |
| Molecular Formula | C18H21N5O9 |
| Exact Mass | 451.133927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqiWhgLBCpf |
|---|---|
| Name | C-(5)-NORBICYCLOMYCIN_C-(5)-O-4-(AZIDOBENZOATE) |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H21N5O9 |
| InChI | InChI=1S/C18H21N5O9/c1-16(29,8-24)13(26)18-15(28)20-17(30,14(27)21-18)11(6-7-31-18)32-12(25)9-2-4-10(5-3-9)22-23-19/h2-5,11,13,24,26,29-30H,6-8H2,1H3,(H,20,28)(H,21,27)/t11-,13?,16?,17+,18+/m0/s1 |
| InChIKey | MYLBYIJSCBVJFY-MAIIPRFSSA-N |
| Literature Reference Author | H.CHO,H.G.PARK,X.ZHANG,I.RIBA,S.J.GASKELL,W.R.WIDGER,H.KOHN |
| Literature Reference Citation | J.ORG.CHEM.,62,5432(1997) |
| Literature Reference DOI | 10.1021/jo970575n |
| Molecular Weight | 451.393 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ4374 |