| SpectraBase Compound ID | 4wxb3ljLLlS |
|---|---|
| InChI | InChI=1S/C20H28Br2N6O3.2C2HF3O2/c1-28(2,3)7-4-8-31-18-15(21)9-13(10-16(18)22)11-17(27-30)19(29)24-6-5-14-12-25-20(23)26-14;2*3-2(4,5)1(6)7/h9-10,12H,4-8,11H2,1-3H3,(H4-,23,24,25,26,27,29,30);2*(H,6,7) |
| InChIKey | LCYGPQBQRBHSGU-UHFFFAOYSA-N |
| Mol Weight | 788.337 g/mol |
| Molecular Formula | C24H30Br2F6N6O7 |
| Exact Mass | 786.044692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8gMSyl70ydv |
|---|---|
| Name | PUREALIDIN-E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H29Br2F6N6O7 |
| InChI | InChI=1S/C20H28Br2N6O3.2C2HF3O2/c1-28(2,3)7-4-8-31-18-15(21)9-13(10-16(18)22)11-17(27-30)19(29)24-6-5-14-12-25-20(23)26-14;2*3-2(4,5)1(6)7/h9-10,12H,4-8,11H2,1-3H3,(H4-,23,24,25,26,27,29,30);2*(H,6,7) |
| InChIKey | LCYGPQBQRBHSGU-UHFFFAOYSA-N |
| Literature Reference Author | M.TSUDA,H.SHIGEMORI,M.ISHIBASHI,J.KOBAYASHI |
| Literature Reference Citation | J.NAT.PROD.,55,1325(1992) |
| Literature Reference DOI | 10.1021/np50087a026 |
| Molecular Weight | 787.329 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWTS498 |