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11,19-Dideoxy-Fistularin 3

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11,19-Dideoxy-Fistularin 3
SpectraBase Compound ID KmkOPWbtYyE
InChI InChI=1S/C31H30Br6N4O9/c1-46-24-17(34)10-30(26(42)21(24)36)12-19(40-49-30)28(44)38-5-3-7-48-23-15(32)8-14(9-16(23)33)4-6-39-29(45)20-13-31(50-41-20)11-18(35)25(47-2)22(37)27(31)43/h8-11,26-27,42-43H,3-7,12-13H2,1-2H3,(H,38,44)(H,39,45)/t26-,27-,30+,31+/m0/s1
InChIKey SYYVXQOWLOEXDU-TUXGATLDSA-N
Mol Weight 1082.02 g/mol
Molecular Formula C31H30Br6N4O9
Exact Mass 1075.711307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H954EERqtaQ
Name 11,19-DIDEOXY-FISTULARIN-3
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H30Br6N4O9
InChI InChI=1S/C31H30Br6N4O9/c1-46-24-17(34)10-30(26(42)21(24)36)12-19(40-49-30)28(44)38-5-3-7-48-23-15(32)8-14(9-16(23)33)4-6-39-29(45)20-13-31(50-41-20)11-18(35)25(47-2)22(37)27(31)43/h8-11,26-27,42-43H,3-7,12-13H2,1-2H3,(H,38,44)(H,39,45)/t26-,27-,30+,31+/m0/s1
InChIKey SYYVXQOWLOEXDU-TUXGATLDSA-N
Literature Reference Author J.A.KALAITZIS,R.A.DAVIS,R.J.QUINN
Literature Reference Citation MAGN.RES.CHEM.,50,749(2012)
Literature Reference DOI 10.1002/mrc.3868
Molecular Weight 1082.025 g/mol
Solvent DMSO-D6
Source File Reference UWLU82355