| SpectraBase Compound ID | 5D23kChaR6e |
|---|---|
| InChI | InChI=1S/C29H35N3O8/c1-16(33)40-22-11-6-19-14-25(27(30)37)32(24(19)15-22)29(39)23(12-17-2-7-20(34)8-3-17)31-28(38)26(36)13-18-4-9-21(35)10-5-18/h2-5,7-10,19,22-26,34-36H,6,11-15H2,1H3,(H2,30,37)(H,31,38)/t19-,22-,23-,24-,25-,26+/m1/s1 |
| InChIKey | BUDABURPHLLGEK-MKDQKPEESA-N |
| Mol Weight | 553.6 g/mol |
| Molecular Formula | C29H35N3O8 |
| Exact Mass | 553.242415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 44w0YnGCVSw |
|---|---|
| Name | AERUGINOSIN_GH_553;MAJOR_CIS_ROTAMER |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H35N3O8 |
| InChI | InChI=1S/C29H35N3O8/c1-16(33)40-22-11-6-19-14-25(27(30)37)32(24(19)15-22)29(39)23(12-17-2-7-20(34)8-3-17)31-28(38)26(36)13-18-4-9-21(35)10-5-18/h2-5,7-10,19,22-26,34-36H,6,11-15H2,1H3,(H2,30,37)(H,31,38)/t19-,22-,23-,24-,25-,26+/m1/s1 |
| InChIKey | BUDABURPHLLGEK-MKDQKPEESA-N |
| Literature Reference Author | M.LIFSHITS,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,75,209(2012) |
| Literature Reference DOI | 10.1021/np200909x |
| Molecular Weight | 553.612 g/mol |
| Sample ID | 40035 |
| Solvent | DMSO-D6 |