| SpectraBase Compound ID | 5ZS6enKNrNt |
|---|---|
| InChI | InChI=1S/C31H30Br6N4O10/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/h5-8,14,26-27,42-44H,3-4,9-12H2,1-2H3,(H,38,45)(H,39,46)/t14?,26-,27+,30+,31-/m1/s1 |
| InChIKey | KNTQXOFXILFRMV-JXVSRFAHSA-N |
| Mol Weight | 1098.02 g/mol |
| Molecular Formula | C31H30Br6N4O10 |
| Exact Mass | 1091.706221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58NUwWeOj5N |
|---|---|
| Name | 19-DEOXYFISTULARIN-3 |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H30Br6N4O10 |
| InChI | InChI=1S/C31H30Br6N4O10/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/h5-8,14,26-27,42-44H,3-4,9-12H2,1-2H3,(H,38,45)(H,39,46)/t14?,26-,27+,30+,31-/m1/s1 |
| InChIKey | KNTQXOFXILFRMV-JXVSRFAHSA-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 | 1098.024 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWRU3565 |