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#4;4,20-DI-[OXO-2-(AMINO-3A,6-DIHYDRO-1H-BENZO-[DE]-ISOQUINOLINE-1,3(2H)-DIONE)-METHYL]-3,8,16,21,27,28-HEXAAZA-2,9,15,22-TETRA-OXO-TRICYCLO-[3,21,1,1(10,14)]-
SpectraBase Compound ID 328lAr6tAqt
InChI InChI=1S/C48H38N10O10/c59-39-31-17-5-18-32(51-31)40(60)50-24-8-22-36(44(64)56-58-47(67)29-15-3-11-26-12-4-16-30(38(26)29)48(58)68)54-42(62)34-20-6-19-33(52-34)41(61)53-35(21-7-23-49-39)43(63)55-57-45(65)27-13-1-9-25-10-2-14-28(37(25)27)46(57)66/h1-6,9-20,35-36H,7-8,21-24H2,(H,49,59)(H,50,60)(H,53,61)(H,54,62)(H,55,63)(H,56,64)
InChIKey IIMWKTMENHAJPC-UHFFFAOYSA-N
Mol Weight 914.9 g/mol
Molecular Formula C48H38N10O10
Exact Mass 914.277237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CDBczF7k9i
Name #4;4,20-DI-[OXO-2-(AMINO-3A,6-DIHYDRO-1H-BENZO-[DE]-ISOQUINOLINE-1,3(2H)-DIONE)-METHYL]-3,8,16,21,27,28-HEXAAZA-2,9,15,22-TETRA-OXO-TRICYCLO-[3,21,1,1(10,14)]-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H38N10O10
InChI InChI=1S/C48H38N10O10/c59-39-31-17-5-18-32(51-31)40(60)50-24-8-22-36(44(64)56-58-47(67)29-15-3-11-26-12-4-16-30(38(26)29)48(58)68)54-42(62)34-20-6-19-33(52-34)41(61)53-35(21-7-23-49-39)43(63)55-57-45(65)27-13-1-9-25-10-2-14-28(37(25)27)46(57)66/h1-6,9-20,35-36H,7-8,21-24H2,(H,49,59)(H,50,60)(H,53,61)(H,54,62)(H,55,63)(H,56,64)
InChIKey IIMWKTMENHAJPC-UHFFFAOYSA-N
Literature Reference Author O.I.A.EL-SALAM,M.A.AL-OMAR,A.A.FAYED,E.M.FLEFEL,A.E.G.E.AMR
Literature Reference Citation MOLECULES,17,14510(2012)
Literature Reference DOI 10.3390/molecules171214510
Molecular Weight 914.891 g/mol
Sample ID 925
Solvent DMSO-D6