| SpectraBase Compound ID | 4pptV2lYZpb |
|---|---|
| InChI | InChI=1S/C15H20N2O9/c1-13(24,7-18)10(21)15-12(23)16-14(25,11(22)17-15)8(5-6-26-15)3-2-4-9(19)20/h2-4,10,18,21,24-25H,5-7H2,1H3,(H,16,23)(H,17,22)(H,19,20)/b4-2+,8-3+/t10?,13?,14-,15+/m0/s1 |
| InChIKey | LUENUXUBZKFSQF-FKTNMAFCSA-N |
| Mol Weight | 372.33 g/mol |
| Molecular Formula | C15H20N2O9 |
| Exact Mass | 372.11688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3JZIMIhL0Y |
|---|---|
| Name | (5E,5BE)-BICYCLOMYCIN-5A-PROPENOIC-ACID |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H20N2O9 |
| InChI | InChI=1S/C15H20N2O9/c1-13(24,7-18)10(21)15-12(23)16-14(25,11(22)17-15)8(5-6-26-15)3-2-4-9(19)20/h2-4,10,18,21,24-25H,5-7H2,1H3,(H,16,23)(H,17,22)(H,19,20)/b4-2+,8-3+/t10?,13?,14-,15+/m0/s1 |
| InChIKey | LUENUXUBZKFSQF-FKTNMAFCSA-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 | 372.332 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU26254 |