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#5A;4,20-DI-[OXO-2-(AMINO-1H-ISOINDOLE-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)]-OCTACOSA-1(26),10,12,14,22
SpectraBase Compound ID 8a8dS5QZazx
InChI InChI=1S/C40H34N10O10/c51-31-25-13-5-14-26(43-25)32(52)42-20-8-18-30(36(56)48-50-39(59)23-11-3-4-12-24(23)40(50)60)46-34(54)28-16-6-15-27(44-28)33(53)45-29(17-7-19-41-31)35(55)47-49-37(57)21-9-1-2-10-22(21)38(49)58/h1-6,9-16,29-30H,7-8,17-20H2,(H,41,51)(H,42,52)(H,45,53)(H,46,54)(H,47,55)(H,48,56)
InChIKey DMOUPQJAPAJPKN-UHFFFAOYSA-N
Mol Weight 814.8 g/mol
Molecular Formula C40H34N10O10
Exact Mass 814.245937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpazRFculZV
Name #5A;4,20-DI-[OXO-2-(AMINO-1H-ISOINDOLE-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)]-OCTACOSA-1(26),10,12,14,22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H34N10O10
InChI InChI=1S/C40H34N10O10/c51-31-25-13-5-14-26(43-25)32(52)42-20-8-18-30(36(56)48-50-39(59)23-11-3-4-12-24(23)40(50)60)46-34(54)28-16-6-15-27(44-28)33(53)45-29(17-7-19-41-31)35(55)47-49-37(57)21-9-1-2-10-22(21)38(49)58/h1-6,9-16,29-30H,7-8,17-20H2,(H,41,51)(H,42,52)(H,45,53)(H,46,54)(H,47,55)(H,48,56)
InChIKey DMOUPQJAPAJPKN-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 814.771 g/mol
Sample ID 926
Solvent DMSO-D6