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19-Deoxy-11-oxofistularin 3

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19-Deoxy-11-oxofistularin 3
SpectraBase Compound ID 7opHYZxea0M
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-/m1/s1
InChIKey ILWHIQUMCNFBIC-VGGPVXIDSA-N
Mol Weight 1096.01 g/mol
Molecular Formula C31H28Br6N4O10
Exact Mass 1089.690571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19OkBTENSTE
Name 19-DEOXY-11-OXOFISTULARIN-3
Compound Number 9
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-/m1/s1
InChIKey ILWHIQUMCNFBIC-VGGPVXIDSA-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 1096.008 g/mol
Solvent ACETONE-D6
Source File Reference UWRU3566