| SpectraBase Compound ID | 56vqGU0FTlX |
|---|---|
| InChI | InChI=1S/C24H35N3O6/c1-13(2)9-18(26-23(32)21(30)10-14-3-6-16(28)7-4-14)24(33)27-19-12-17(29)8-5-15(19)11-20(27)22(25)31/h3-4,6-7,13,15,17-21,28-30H,5,8-12H2,1-2H3,(H2,25,31)(H,26,32)/t15-,17-,18+,19-,20+,21+/m1/s1 |
| InChIKey | FEBDAAYWFMTVBF-RTJUMIHMSA-N |
| Mol Weight | 461.6 g/mol |
| Molecular Formula | C24H35N3O6 |
| Exact Mass | 461.252586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5LqgIxfM6wf |
|---|---|
| Name | AERUGINOSIN-EI461;TRANS-ROTAMER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H35N3O6 |
| InChI | InChI=1S/C24H35N3O6/c1-13(2)9-18(26-23(32)21(30)10-14-3-6-16(28)7-4-14)24(33)27-19-12-17(29)8-5-15(19)11-20(27)22(25)31/h3-4,6-7,13,15,17-21,28-30H,5,8-12H2,1-2H3,(H2,25,31)(H,26,32)/t15-,17-,18+,19-,20+,21+/m1/s1 |
| InChIKey | FEBDAAYWFMTVBF-RTJUMIHMSA-N |
| Literature Reference Author | N.VALLS,M.VALLRIBERA,S.CARMELI,J.BONJOCH |
| Literature Reference Citation | ORG.LETTERS,5,447(2003) |
| Literature Reference DOI | 10.1021/ol0273250 |
| Molecular Weight | 461.558 g/mol |
| Sample ID | 49448 |
| Solvent | DMSO-D6 |