| SpectraBase Compound ID | CjW06gr9WFE |
|---|---|
| InChI | InChI=1S/C32H44N6O6/c33-32(34)36-15-5-4-14-35-29(42)27-18-22-10-13-24(40)19-26(22)38(27)31(44)25(16-20-6-2-1-3-7-20)37-30(43)28(41)17-21-8-11-23(39)12-9-21/h1-3,6-9,11-12,22,24-28,39-41H,4-5,10,13-19H2,(H,35,42)(H,37,43)(H4,33,34,36)/t22-,24-,25-,26-,27-,28-/m1/s1 |
| InChIKey | HYPWKJJQJSEUDS-BYSSPFSSSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C32H44N6O6 |
| Exact Mass | 608.332233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJN0aFRGYRV |
|---|---|
| Name | AERUGINOSIN_KT_608B;MAJOR_CIS_ROTAMER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44N6O6 |
| InChI | InChI=1S/C32H44N6O6/c33-32(34)36-15-5-4-14-35-29(42)27-18-22-10-13-24(40)19-26(22)38(27)31(44)25(16-20-6-2-1-3-7-20)37-30(43)28(41)17-21-8-11-23(39)12-9-21/h1-3,6-9,11-12,22,24-28,39-41H,4-5,10,13-19H2,(H,35,42)(H,37,43)(H4,33,34,36)/t22-,24-,25-,26-,27-,28-/m1/s1 |
| InChIKey | HYPWKJJQJSEUDS-BYSSPFSSSA-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 | 608.738 g/mol |
| Sample ID | 40030 |
| Solvent | DMSO-D6 |