| SpectraBase Compound ID | KTDx9k6mdQ0 |
|---|---|
| InChI | InChI=1S/C25H32N6O9/c1-38-13-2-3-17(39-25-21(35)19(33)20(34)22(40-25)24(36)37)15(8-13)29-23-18-12(4-7-31(18)28-11-27-23)9-30-6-5-14(26)16(32)10-30/h2-4,7-8,11,14,16,19-22,25,32-35H,5-6,9-10,26H2,1H3,(H,36,37)(H,27,28,29)/t14-,16-,19+,20+,21-,22+,25-/m1/s1 |
| InChIKey | DMWMDEZDLIPXQT-WBLXUPGQSA-N |
| Mol Weight | 560.6 g/mol |
| Molecular Formula | C25H32N6O9 |
| Exact Mass | 560.223077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2sgQwQ9qTtr |
|---|---|
| Name | DMWMDEZDLIPXQT-WBLXUPGQSA-N |
| Compound Number | M8B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32N6O9 |
| InChI | InChI=1S/C25H32N6O9/c1-38-13-2-3-17(39-25-21(35)19(33)20(34)22(40-25)24(36)37)15(8-13)29-23-18-12(4-7-31(18)28-11-27-23)9-30-6-5-14(26)16(32)10-30/h2-4,7-8,11,14,16,19-22,25,32-35H,5-6,9-10,26H2,1H3,(H,36,37)(H,27,28,29)/t14-,16-,19+,20+,21-,22+,25-/m1/s1 |
| InChIKey | DMWMDEZDLIPXQT-WBLXUPGQSA-N |
| Literature Reference Author | H.HONG,H.SU,H.SUN,A.ALLENTOFF,I.V.EKHATO,T.CHANDRO,J.CACERES -CORTES,V.ROONGTA,R. |
| Literature Reference Citation | DRUG.MET.DISP.,38,1189(2010) |
| Literature Reference DOI | 10.1124/dmd.110.032755 |
| Molecular Weight | 560.564 g/mol |
| Source File Reference | UWLU74048 |