| SpectraBase Compound ID | KSVwYNEC7yU |
|---|---|
| InChI | InChI=1S/C34H28Br4N4O13S/c35-19-11-17-2-4-26(19)53-27-9-15(1-3-24(27)43)5-6-39-34(47)29(42-49)30(45)18-12-21(37)31(22(38)13-18)54-28-10-16(7-20(36)32(28)55-56(50,51)52)8-23(41-48)33(46)40-14-25(17)44/h1-4,7,9-13,25,30,43-45,48-49H,5-6,8,14H2,(H,39,47)(H,40,46)(H,50,51,52)/p-1/b41-23+,42-29+ |
| InChIKey | ULPCUXOFORECAE-ONZSAZKHSA-M |
| Mol Weight | 1051.3 g/mol |
| Molecular Formula | C34H27Br4N4O13S |
| Exact Mass | 1046.802885 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NHwqijB5K3 |
|---|---|
| Name | BASTADIN_26 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H25Br4N4O13S |
| InChI | InChI=1S/C34H28Br4N4O13S/c35-19-11-17-2-4-26(19)53-27-9-15(1-3-24(27)43)5-6-39-34(47)29(42-49)30(45)18-12-21(37)31(22(38)13-18)54-28-10-16(7-20(36)32(28)55-56(50,51)52)8-23(41-48)33(46)40-14-25(17)44/h1-4,7,9-13,25,30,43-45,48-49H,5-6,8,14H2,(H,39,47)(H,40,46)(H,50,51,52)/p-1/b41-23+,42-29+ |
| InChIKey | ULPCUXOFORECAE-ONZSAZKHSA-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 | 1049.267 g/mol |
| Sample ID | 36394 |
| Solvent | DMSO-D6 |