| SpectraBase Compound ID | 6T5vasGWZq9 |
|---|---|
| InChI | InChI=1S/C34H26Br6N4O9/c35-18-5-15-2-4-42-34(49)27(44-51)28(45)17-12-22(39)32(23(40)13-17)53-26-11-16(8-19(36)30(26)47)9-24(43-50)33(48)41-3-1-14-6-20(37)31(21(38)7-14)52-25(10-15)29(18)46/h5-8,10-13,28,45-47,50-51H,1-4,9H2,(H,41,48)(H,42,49)/b43-24+,44-27+ |
| InChIKey | MHAGECXZXFMEGD-OJYBBUQISA-N |
| Mol Weight | 1114.0 g/mol |
| Molecular Formula | C34H26Br6N4O9 |
| Exact Mass | 1107.680006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KQkjjMQRBZY |
|---|---|
| Name | Bastadin 24 |
| Appearance | White, amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H26Br6N4O9 |
| InChI | InChI=1S/C34H26Br6N4O9/c35-18-5-15-2-4-42-34(49)27(44-51)28(45)17-12-22(39)32(23(40)13-17)53-26-11-16(8-19(36)30(26)47)9-24(43-50)33(48)41-3-1-14-6-20(37)31(21(38)7-14)52-25(10-15)29(18)46/h5-8,10-13,28,45-47,50-51H,1-4,9H2,(H,41,48)(H,42,49)/b43-24+,44-27+ |
| InChIKey | MHAGECXZXFMEGD-OJYBBUQISA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np070373e |
| Molecular Weight | 1114.025 g/mol |
| Optical Rotation | [a]D23 =-36 (c = 0.88, MeOH) |
| Reported Formula | C34H2679Br6N4O9 |
| SMILES | N1CCc2cc(c(c(c2)Br)O)Oc2c(cc(cc2Br)CCNC(\C(Cc2cc(Oc3c(cc(C(\C(=N/O)C1=O)O)cc3Br)Br)c(c(c2)Br)O)=N/O)=O)Br |
| SPLASH | splash10-053g-2322900000-d687b09dc00d20f850e6 |
| Source of Spectrum | G4-71-SM11-1 |
| Wiley ID | 1871982 |