| SpectraBase Compound ID | 17rLueLQBtn |
|---|---|
| InChI | InChI=1S/C31H28Br6N4O11/c1-48-24-16(34)5-30(26(44)21(24)36)7-18(40-51-30)28(46)38-9-13(42)11-50-23-14(32)3-12(4-15(23)33)20(43)10-39-29(47)19-8-31(52-41-19)6-17(35)25(49-2)22(37)27(31)45/h3-6,20,26-27,43-45H,7-11H2,1-2H3,(H,38,46)(H,39,47)/t20?,26-,27+,30+,31-/m0/s1 |
| InChIKey | SGBKFQBILVXVCY-BCUNMAEHSA-N |
| Mol Weight | 1112.01 g/mol |
| Molecular Formula | C31H28Br6N4O11 |
| Exact Mass | 1105.685486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmlU3h39aLA |
|---|---|
| Name | 11-OXOFISTULARIN-3 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H28Br6N4O11 |
| InChI | InChI=1S/C31H28Br6N4O11/c1-48-24-16(34)5-30(26(44)21(24)36)7-18(40-51-30)28(46)38-9-13(42)11-50-23-14(32)3-12(4-15(23)33)20(43)10-39-29(47)19-8-31(52-41-19)6-17(35)25(49-2)22(37)27(31)45/h3-6,20,26-27,43-45H,7-11H2,1-2H3,(H,38,46)(H,39,47)/t20?,26-,27+,30+,31-/m0/s1 |
| InChIKey | SGBKFQBILVXVCY-BCUNMAEHSA-N |
| Literature Reference Author | I.MANCINI,G.GUELLA,P.LABOUTE,C.DEBITUS,F.PIETRA |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3121(1993) |
| Literature Reference DOI | 10.1039/p19930003121 |
| Molecular Weight | 1112.008 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWRU3563 |