![(5E,5BE)-[5C-(2-PYRIDYL)]-5A-ETHENYLBICYCLOMYCIN-C-(2'),C-(3')-ACETONIDE](/api/spectrum/KVux4UOEYjF/structure.png?h=300&w=458 "(5E,5BE)-[5C-(2-PYRIDYL)]-5A-ETHENYLBICYCLOMYCIN-C-(2'),C-(3')-ACETONIDE")
| SpectraBase Compound ID | L9l4gDAi4DN |
|---|---|
| InChI | InChI=1S/C22H27N3O7/c1-19(2)31-13-20(3,32-19)16(26)22-18(28)24-21(29,17(27)25-22)14(10-12-30-22)7-6-9-15-8-4-5-11-23-15/h4-9,11,16,26,29H,10,12-13H2,1-3H3,(H,24,28)(H,25,27)/b9-6+,14-7+/t16?,20?,21-,22+/m0/s1 |
| InChIKey | VCMXPRYBTUCZGE-WHMALVHHSA-N |
| Mol Weight | 445.47 g/mol |
| Molecular Formula | C22H27N3O7 |
| Exact Mass | 445.1849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVux4UOEYjF |
|---|---|
| Name | (5E,5BE)-[5C-(2-PYRIDYL)]-5A-ETHENYLBICYCLOMYCIN-C-(2'),C-(3')-ACETONIDE |
| Compound Number | 47 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H27N3O7 |
| InChI | InChI=1S/C22H27N3O7/c1-19(2)31-13-20(3,32-19)16(26)22-18(28)24-21(29,17(27)25-22)14(10-12-30-22)7-6-9-15-8-4-5-11-23-15/h4-9,11,16,26,29H,10,12-13H2,1-3H3,(H,24,28)(H,25,27)/b9-6+,14-7+/t16?,20?,21-,22+/m0/s1 |
| InChIKey | VCMXPRYBTUCZGE-WHMALVHHSA-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 | 445.472 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU26261 |