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AGELOCAISSARINE-B1
SpectraBase Compound ID FhsS3fqtzyH
InChI InChI=1S/C23H24Br4N4O9/c24-10-4-22(18(35)14(26)16(10)33)6-12(30-39-22)20(37)28-3-1-2-9(32)8-29-21(38)13-7-23(40-31-13)5-11(25)17(34)15(27)19(23)36/h4-5,9,14-15,18-19,32,35-36H,1-3,6-8H2,(H,28,37)(H,29,38)/t9?,14-,15-,18+,19+,22-,23-/m1/s1
InChIKey ZUZUYYDOVBLPEG-ZWKFVGJHSA-N
Mol Weight 820.08 g/mol
Molecular Formula C23H24Br4N4O9
Exact Mass 815.82768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6EPFyZAZqne
Name AGELOCAISSARINE-B1
Compound Number 60
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24Br4N4O9
InChI InChI=1S/C23H24Br4N4O9/c24-10-4-22(18(35)14(26)16(10)33)6-12(30-39-22)20(37)28-3-1-2-9(32)8-29-21(38)13-7-23(40-31-13)5-11(25)17(34)15(27)19(23)36/h4-5,9,14-15,18-19,32,35-36H,1-3,6-8H2,(H,28,37)(H,29,38)/t9?,14-,15-,18+,19+,22-,23-/m1/s1
InChIKey ZUZUYYDOVBLPEG-ZWKFVGJHSA-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 820.081 g/mol
Source File Reference UWBT6930