| SpectraBase Compound ID | 2RXG6zopWm3 |
|---|---|
| InChI | InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,44-45,48-49H,3-6,12-13H2,(H,40,46)(H,41,47)/b42-25-,43-26+ |
| InChIKey | AHBBQQLIUBAPCY-HQTCRMEMSA-N |
| Mol Weight | 1019.1 g/mol |
| Molecular Formula | C34H27Br5N4O8 |
| Exact Mass | 1013.774579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FWlPxMM6inF |
|---|---|
| Name | (E,Z)-BASTADIN_19 |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H25Br5N4O8 |
| InChI | InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,44-45,48-49H,3-6,12-13H2,(H,40,46)(H,41,47)/b42-25-,43-26+ |
| InChIKey | AHBBQQLIUBAPCY-HQTCRMEMSA-N |
| Literature Reference Author | L.CALCUL,W.D.INMAN,A.A.MORRIS,K.TENNEY,J.RATNAM,J.H.MCKERROW ,F.A.VALERIOTE,P.CRE |
| Literature Reference Citation | J.NAT.PROD.,73,365(2010) |
| Literature Reference DOI | 10.1021/np9005986 |
| Molecular Weight | 1017.114 g/mol |
| Sample ID | 35062 |
| Solvent | DMSO-D6 |