| SpectraBase Compound ID | 7073m2siuav |
|---|---|
| InChI | InChI=1S/C18H24N2O9/c1-3-8-28-12(22)6-4-5-11-7-9-29-18(13(23)16(2,26)10-21)15(25)19-17(11,27)14(24)20-18/h3-6,13,21,23,26-27H,1,7-10H2,2H3,(H,19,25)(H,20,24)/b6-4+,11-5+/t13?,16?,17-,18+/m0/s1 |
| InChIKey | LWXNKKIDIZIQKF-CDRCKNDYSA-N |
| Mol Weight | 412.4 g/mol |
| Molecular Formula | C18H24N2O9 |
| Exact Mass | 412.14818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AgoGqL4DdDn |
|---|---|
| Name | (5E,5BE)-ALLYL-BICYCLOMYCIN-5A-PROPENOATE |
| Compound Number | 1 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H24N2O9 |
| InChI | InChI=1S/C18H24N2O9/c1-3-8-28-12(22)6-4-5-11-7-9-29-18(13(23)16(2,26)10-21)15(25)19-17(11,27)14(24)20-18/h3-6,13,21,23,26-27H,1,7-10H2,2H3,(H,19,25)(H,20,24)/b6-4+,11-5+/t13?,16?,17-,18+/m0/s1 |
| InChIKey | LWXNKKIDIZIQKF-CDRCKNDYSA-N |
| Literature Reference Author | F.VINCENT,J.SRINIVASAN,A.SANTILLAN,W.R.WIDGER,H.KOHN |
| Literature Reference Citation | J.ORG.CHEM.,66,2251(2001) |
| Literature Reference DOI | 10.1021/jo0013150 |
| Molecular Weight | 412.397 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU26273 |