| SpectraBase Compound ID | 5LHLO9U1PrH |
|---|---|
| InChI | InChI=1S/C15H21Br2N5O5/c1-26-11-8(16)4-15(12(24)10(11)17)5-9(22-27-15)13(25)21-6-7(23)2-3-20-14(18)19/h4,7,12,23-24H,2-3,5-6H2,1H3,(H,21,25)(H4,18,19,20)/t7?,12-,15+/m1/s1 |
| InChIKey | RXBVKUAAUFHYBW-APWBMBHSSA-N |
| Mol Weight | 511.17 g/mol |
| Molecular Formula | C15H21Br2N5O5 |
| Exact Mass | 508.990945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZcWpg4lUD1 |
|---|---|
| Name | CAISSARINE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H21Br2N5O5 |
| InChI | InChI=1S/C15H21Br2N5O5/c1-26-11-8(16)4-15(12(24)10(11)17)5-9(22-27-15)13(25)21-6-7(23)2-3-20-14(18)19/h4,7,12,23-24H,2-3,5-6H2,1H3,(H,21,25)(H4,18,19,20)/t7?,12-,15+/m1/s1 |
| InChIKey | RXBVKUAAUFHYBW-APWBMBHSSA-N |
| Literature Reference Author | B.M.SAEKI,A.C.GRANATO,R.G.S.BERLINCK,A.MAGALHAES,A.B.SCHEFER ,A.G.FERREIRA,U.S.PI |
| Literature Reference Citation | J.NAT.PROD.,65,796(2002) |
| Literature Reference DOI | 10.1021/np0105735 |
| Molecular Weight | 511.170 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4268 |