| SpectraBase Compound ID | IAQktPcBPBP |
|---|---|
| InChI | InChI=1S/C22H22Br4N10O2/c23-10-6-13(32-17(10)25)19(37)29-4-1-2-12-16(36-22(28)34-12)9(15-8-31-21(27)35-15)3-5-30-20(38)14-7-11(24)18(26)33-14/h3,6-8,32-33H,1-2,4-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/b9-3- |
| InChIKey | RNISWAUJGXDYCK-OQFOIZHKSA-N |
| Mol Weight | 778.1 g/mol |
| Molecular Formula | C22H22Br4N10O2 |
| Exact Mass | 773.866072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzqYAJ3ozIz |
|---|---|
| Name | MAJOR_DIASTEREOMER |
| Compound Number | (Z)-#12B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22Br4N10O2 |
| InChI | InChI=1S/C22H22Br4N10O2/c23-10-6-13(32-17(10)25)19(37)29-4-1-2-12-16(36-22(28)34-12)9(15-8-31-21(27)35-15)3-5-30-20(38)14-7-11(24)18(26)33-14/h3,6-8,32-33H,1-2,4-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/b9-3- |
| InChIKey | RNISWAUJGXDYCK-OQFOIZHKSA-N |
| Literature Reference Author | C.LEJEUNE,H.TIAN,J.APPENSELLER,L.ERMOLENKO,M.T.MARTIN,A.AL-M OURABIT |
| Literature Reference Citation | J.NAT.PROD.,76,903(2013) |
| Literature Reference DOI | 10.1021/np400048r |
| Molecular Weight | 778.098 g/mol |
| Sample ID | 42510 |
| Solvent | CD3OD |