| SpectraBase Compound ID | 18uhxzXw8fS |
|---|---|
| InChI | InChI=1S/C22H26N2O9/c1-20(30,13-25)17(27)22-19(29)23-21(31,18(28)24-22)15(10-11-33-22)8-5-9-16(26)32-12-14-6-3-2-4-7-14/h2-9,17,25,27,30-31H,10-13H2,1H3,(H,23,29)(H,24,28)/b9-5+,15-8+/t17?,20?,21-,22+/m0/s1 |
| InChIKey | FACJECCWVQHMPA-XRCDQOPPSA-N |
| Mol Weight | 462.46 g/mol |
| Molecular Formula | C22H26N2O9 |
| Exact Mass | 462.16383 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4ZM44xV52C |
|---|---|
| Name | (5E,5BE)-BENZYL-BICYCLOMYCIN-5A-PROPENOATE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H26N2O9 |
| InChI | InChI=1S/C22H26N2O9/c1-20(30,13-25)17(27)22-19(29)23-21(31,18(28)24-22)15(10-11-33-22)8-5-9-16(26)32-12-14-6-3-2-4-7-14/h2-9,17,25,27,30-31H,10-13H2,1H3,(H,23,29)(H,24,28)/b9-5+,15-8+/t17?,20?,21-,22+/m0/s1 |
| InChIKey | FACJECCWVQHMPA-XRCDQOPPSA-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 | 462.456 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU26274 |