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#57;[(5R)-[5-ALPHA-(5'R*,9'R*,10'S*),9-ALPHA,10-BETA]]-(9CI)-1-OXA-2-AZASPIRO-[4,5]-DECA-2,6-DIENE-3-CARBOXAMIDE,N,N'-(2-OXO-1,4-BUTANEDIYL)-BIS-[7,9-DIBROMO-1
SpectraBase Compound ID 2MqRRCp1ZKB
InChI InChI=1S/C22H20Br4N4O9/c23-9-3-21(17(34)13(25)15(9)32)5-11(29-38-21)19(36)27-2-1-8(31)7-28-20(37)12-6-22(39-30-12)4-10(24)16(33)14(26)18(22)35/h3-4,13-14,17-18,34-35H,1-2,5-7H2,(H,27,36)(H,28,37)/t13-,14-,17+,18+,21+,22+/m0/s1
InChIKey DTPDBNUIBODESN-XSNJIQOBSA-N
Mol Weight 804.04 g/mol
Molecular Formula C22H20Br4N4O9
Exact Mass 799.79638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ArPDCKM0pKu
Name #57;[(5R)-[5-ALPHA-(5'R*,9'R*,10'S*),9-ALPHA,10-BETA]]-(9CI)-1-OXA-2-AZASPIRO-[4,5]-DECA-2,6-DIENE-3-CARBOXAMIDE,N,N'-(2-OXO-1,4-BUTANEDIYL)-BIS-[7,9-DIBROMO-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20Br4N4O9
InChI InChI=1S/C22H20Br4N4O9/c23-9-3-21(17(34)13(25)15(9)32)5-11(29-38-21)19(36)27-2-1-8(31)7-28-20(37)12-6-22(39-30-12)4-10(24)16(33)14(26)18(22)35/h3-4,13-14,17-18,34-35H,1-2,5-7H2,(H,27,36)(H,28,37)/t13-,14-,17+,18+,21+,22+/m0/s1
InChIKey DTPDBNUIBODESN-XSNJIQOBSA-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 804.038 g/mol
Source File Reference UWBT6927