| SpectraBase Compound ID | Bt9hR0ulxjX |
|---|---|
| InChI | InChI=1S/C34H46N6O7/c1-21(41)47-30(18-23-9-12-25(42)13-10-23)32(45)39-27(17-22-7-3-2-4-8-22)33(46)40-28-20-26(43)14-11-24(28)19-29(40)31(44)37-15-5-6-16-38-34(35)36/h2-4,7-10,12-13,24,26-30,42-43H,5-6,11,14-20H2,1H3,(H,37,44)(H,39,45)(H4,35,36,38)/t24-,26-,27-,28-,29-,30-/m1/s1 |
| InChIKey | HUKJPWVQXNHUJQ-HMDGCWDXSA-N |
| Mol Weight | 650.8 g/mol |
| Molecular Formula | C34H46N6O7 |
| Exact Mass | 650.342798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJW7b3HreDa |
|---|---|
| Name | AERUGINOSIN_KT_650;MAJOR_CIS_ROTAMER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46N6O7 |
| InChI | InChI=1S/C34H46N6O7/c1-21(41)47-30(18-23-9-12-25(42)13-10-23)32(45)39-27(17-22-7-3-2-4-8-22)33(46)40-28-20-26(43)14-11-24(28)19-29(40)31(44)37-15-5-6-16-38-34(35)36/h2-4,7-10,12-13,24,26-30,42-43H,5-6,11,14-20H2,1H3,(H,37,44)(H,39,45)(H4,35,36,38)/t24-,26-,27-,28-,29-,30-/m1/s1 |
| InChIKey | HUKJPWVQXNHUJQ-HMDGCWDXSA-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 | 650.775 g/mol |
| Sample ID | 40032 |
| Solvent | DMSO-D6 |