| SpectraBase Compound ID | 7cYcS8Mj3g9 |
|---|---|
| InChI | InChI=1S/C16H22N2O9/c1-14(24,8-19)11(21)16-13(23)17-15(25,12(22)18-16)9(6-7-27-16)4-3-5-10(20)26-2/h3-5,11,19,21,24-25H,6-8H2,1-2H3,(H,17,23)(H,18,22)/b5-3+,9-4+/t11?,14?,15-,16+/m0/s1 |
| InChIKey | SOYPZQWFZNZMOM-MOPJKQBJSA-N |
| Mol Weight | 386.36 g/mol |
| Molecular Formula | C16H22N2O9 |
| Exact Mass | 386.13253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAtrKGY5A4y |
|---|---|
| Name | (5E,5BE)-METHYL-BICYCLOMYCIN-5A-PROPENOATE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H22N2O9 |
| InChI | InChI=1S/C16H22N2O9/c1-14(24,8-19)11(21)16-13(23)17-15(25,12(22)18-16)9(6-7-27-16)4-3-5-10(20)26-2/h3-5,11,19,21,24-25H,6-8H2,1-2H3,(H,17,23)(H,18,22)/b5-3+,9-4+/t11?,14?,15-,16+/m0/s1 |
| InChIKey | SOYPZQWFZNZMOM-MOPJKQBJSA-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 | 386.359 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU26272 |