| SpectraBase Compound ID | 6bLGDL5gTo1 |
|---|---|
| InChI | InChI=1S/C19H22N2O10/c1-17(28,9-23)14(25)19-16(27)20-18(29,15(26)21-19)12(5-6-30-19)31-13(24)11-4-2-3-10(7-11)8-22/h2-4,7-8,12,14,23,25,28-29H,5-6,9H2,1H3,(H,20,27)(H,21,26)/t12-,14?,17?,18-,19-/m0/s1 |
| InChIKey | MFPQEGAIZQTNAL-WSCOJMIGSA-N |
| Mol Weight | 438.39 g/mol |
| Molecular Formula | C19H22N2O10 |
| Exact Mass | 438.127445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dMfQa9yeGt |
|---|---|
| Name | C-(5)-NORBICYCLOMYCIN_C-(5)-O-(3-FORMYLBENZOATE) |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H22N2O10 |
| InChI | InChI=1S/C19H22N2O10/c1-17(28,9-23)14(25)19-16(27)20-18(29,15(26)21-19)12(5-6-30-19)31-13(24)11-4-2-3-10(7-11)8-22/h2-4,7-8,12,14,23,25,28-29H,5-6,9H2,1H3,(H,20,27)(H,21,26)/t12-,14?,17?,18-,19-/m0/s1 |
| InChIKey | MFPQEGAIZQTNAL-WSCOJMIGSA-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 | 438.391 g/mol |
| Solvent | CD3OD:D2O=1:1 |
| Source File Reference | UWMZ4375 |