| SpectraBase Compound ID | FgYGC6GDBNx |
|---|---|
| InChI | InChI=1S/C24H34ClN3O6/c1-12(2)7-17(27-23(33)21(31)9-13-3-6-20(30)16(25)8-13)24(34)28-18-11-15(29)5-4-14(18)10-19(28)22(26)32/h3,6,8,12,14-15,17-19,21,29-31H,4-5,7,9-11H2,1-2H3,(H2,26,32)(H,27,33)/t14-,15+,17+,18-,19-,21+/m0/s1 |
| InChIKey | JEQFQALMOOSYPM-ICVGXQTJSA-N |
| Mol Weight | 496.0 g/mol |
| Molecular Formula | C24H34ClN3O6 |
| Exact Mass | 495.213614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EK5EGWlcKeK |
|---|---|
| Name | AERUGINOSIN_DA495B;D-ORTHO-CL-HPLA-D-LEU-L-CHOI-AMIDE;MAJOR_ROTAMER;TRANS |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H34ClN3O6 |
| InChI | InChI=1S/C24H34ClN3O6/c1-12(2)7-17(27-23(33)21(31)9-13-3-6-20(30)16(25)8-13)24(34)28-18-11-15(29)5-4-14(18)10-19(28)22(26)32/h3,6,8,12,14-15,17-19,21,29-31H,4-5,7,9-11H2,1-2H3,(H2,26,32)(H,27,33)/t14-,15+,17+,18-,19-,21+/m0/s1 |
| InChIKey | JEQFQALMOOSYPM-ICVGXQTJSA-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 | 496.003 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ43597 |