| SpectraBase Compound ID | 5prS2R323KB |
|---|---|
| InChI | InChI=1S/C31H28Br6N4O10/c1-47-24-17(34)7-30(26(43)21(24)36)9-19(40-50-30)28(45)38-4-3-13-5-15(32)23(16(33)6-13)49-12-14(42)11-39-29(46)20-10-31(51-41-20)8-18(35)25(48-2)22(37)27(31)44/h5-8,26-27,43-44H,3-4,9-12H2,1-2H3,(H,38,45)(H,39,46)/t26-,27-,30+,31+/m0/s1 |
| InChIKey | ILWHIQUMCNFBIC-TUXGATLDSA-N |
| Mol Weight | 1096.01 g/mol |
| Molecular Formula | C31H28Br6N4O10 |
| Exact Mass | 1089.690571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ziJoaWrEqa |
|---|---|
| Name | 19-DEOXY-11-OXO-FISTULARIN |
| Compound Number | 39 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H28Br6N4O10 |
| InChI | InChI=1S/C31H28Br6N4O10/c1-47-24-17(34)7-30(26(43)21(24)36)9-19(40-50-30)28(45)38-4-3-13-5-15(32)23(16(33)6-13)49-12-14(42)11-39-29(46)20-10-31(51-41-20)8-18(35)25(48-2)22(37)27(31)44/h5-8,26-27,43-44H,3-4,9-12H2,1-2H3,(H,38,45)(H,39,46)/t26-,27-,30+,31+/m0/s1 |
| InChIKey | ILWHIQUMCNFBIC-TUXGATLDSA-N |
| Literature Reference Author | N.S.LIRA,R.C.MONTES,J.F.TAVARES,M.S.D.SILVA,E.V.L.D.CUNHA,P. F.D.ATHAYDE-FILHO |
| Literature Reference Citation | MAR.DRUGS,9,2316(2011) |
| Literature Reference DOI | 10.3390/md9112316 |
| Molecular Weight | 1096.008 g/mol |
| Source File Reference | UWBT6911 |