| SpectraBase Compound ID | 4qYc0H8fbVf |
|---|---|
| InChI | InChI=1S/C19H22N2O8/c1-11-8-9-28-19(14(24)17(2,27)10-22)16(26)20-18(11,15(25)21-19)29-13(23)12-6-4-3-5-7-12/h3-7,14,22,24,27H,1,8-10H2,2H3,(H,20,26)(H,21,25)/t14?,17?,18-,19-/m1/s1 |
| InChIKey | QVQNFBMKCFFWJQ-UNLQRWGISA-N |
| Mol Weight | 406.39 g/mol |
| Molecular Formula | C19H22N2O8 |
| Exact Mass | 406.137616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EpBIkXIRq9k |
|---|---|
| Name | BICYCLOMYCIN-C(6)-O-BENZOATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H22N2O8 |
| InChI | InChI=1S/C19H22N2O8/c1-11-8-9-28-19(14(24)17(2,27)10-22)16(26)20-18(11,15(25)21-19)29-13(23)12-6-4-3-5-7-12/h3-7,14,22,24,27H,1,8-10H2,2H3,(H,20,26)(H,21,25)/t14?,17?,18-,19-/m1/s1 |
| InChIKey | QVQNFBMKCFFWJQ-UNLQRWGISA-N |
| Literature Reference Author | A.SANTILLAN,H.G.PARK,X.ZHANG,O.S.LEE,W.R.WIDGER,H.KOHN |
| Literature Reference Citation | J.ORG.CHEM.,61,7756(1996) |
| Literature Reference DOI | 10.1021/jo961003q |
| Molecular Weight | 406.392 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS21855 |