| SpectraBase Compound ID | 78xPnqtp4RL |
|---|---|
| InChI | InChI=1S/C34H26Br4N4O12S/c35-20-9-16-1-3-25(20)52-27-12-17(2-4-26(27)54-55(49,50)51)6-8-40-34(46)29(42-48)30(43)19-14-22(37)32(23(38)15-19)53-28-13-18(10-21(36)31(28)44)11-24(41-47)33(45)39-7-5-16/h1-5,7,9-10,12-15,30,43-44,47-48H,6,8,11H2,(H,39,45)(H,40,46)(H,49,50,51)/p-1/b7-5+,41-24+,42-29+ |
| InChIKey | UJTNPKWCLIIJQR-LSUACVJQSA-M |
| Mol Weight | 1033.3 g/mol |
| Molecular Formula | C34H25Br4N4O12S |
| Exact Mass | 1028.79232 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5OiHc06M4jC |
|---|---|
| Name | BASTADIN_25 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H23Br4N4O12S |
| InChI | InChI=1S/C34H26Br4N4O12S/c35-20-9-16-1-3-25(20)52-27-12-17(2-4-26(27)54-55(49,50)51)6-8-40-34(46)29(42-48)30(43)19-14-22(37)32(23(38)15-19)53-28-13-18(10-21(36)31(28)44)11-24(41-47)33(45)39-7-5-16/h1-5,7,9-10,12-15,30,43-44,47-48H,6,8,11H2,(H,39,45)(H,40,46)(H,49,50,51)/p-1/b7-5+,41-24+,42-29+ |
| InChIKey | UJTNPKWCLIIJQR-LSUACVJQSA-M |
| Literature Reference Author | A.R.CARROLL,S.M.KAISER,R.A.DAVIS,R.W.MONI,J.N.A.HOOPER,R.J.Q UINN |
| Literature Reference Citation | J.NAT.PROD.,73,1173(2010) |
| Literature Reference DOI | 10.1021/np100010z |
| Molecular Weight | 1031.252 g/mol |
| Sample ID | 36392 |
| Solvent | DMSO-D6 |