| SpectraBase Compound ID | BWSzFpn90Cp |
|---|---|
| InChI | InChI=1S/C29H44Cl2N6O9S/c1-15(2)9-21(36-27(41)24(38)12-16-10-19(30)25(39)20(31)11-16)28(42)37-22-14-18(46-47(43,44)45)6-5-17(22)13-23(37)26(40)34-7-3-4-8-35-29(32)33/h10-11,15,17-18,21-24,38-39H,3-9,12-14H2,1-2H3,(H,34,40)(H,36,41)(H4,32,33,35)(H,43,44,45)/t17-,18+,21+,22-,23-,24+/m0/s1 |
| InChIKey | UVNFBGACXCESOX-PVPAWSFNSA-N |
| Mol Weight | 723.7 g/mol |
| Molecular Formula | C29H44Cl2N6O9S |
| Exact Mass | 722.226754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EfhoSJy5wua |
|---|---|
| Name | AERUGINOSIN_DA722;D-ORTHO,ORTHO-DI-CL-HPLA-D-LEU-L-CHOI-6-SULFATE-AGMATINE;TRANS |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44Cl2N6O9S |
| InChI | InChI=1S/C29H44Cl2N6O9S/c1-15(2)9-21(36-27(41)24(38)12-16-10-19(30)25(39)20(31)11-16)28(42)37-22-14-18(46-47(43,44)45)6-5-17(22)13-23(37)26(40)34-7-3-4-8-35-29(32)33/h10-11,15,17-18,21-24,38-39H,3-9,12-14H2,1-2H3,(H,34,40)(H,36,41)(H4,32,33,35)(H,43,44,45)/t17-,18+,21+,22-,23-,24+/m0/s1 |
| InChIKey | UVNFBGACXCESOX-PVPAWSFNSA-N |
| Literature Reference Author | S.ADIV,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,76,2307(2013) |
| Literature Reference DOI | 10.1021/np4006844 |
| Molecular Weight | 723.669 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ43601 |