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#6J;4,20-DI-(OXO-3,4,5-TRIMETHOXY-PHENYL-CARBOHYDRAZONYL-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
SpectraBase Compound ID 7GNSv4kiT6l
InChI InChI=1S/C44H50N10O12/c1-61-33-19-25(20-34(62-2)37(33)65-5)23-47-53-43(59)31-15-9-17-45-39(55)27-11-7-12-28(49-27)40(56)46-18-10-16-32(52-42(58)30-14-8-13-29(50-30)41(57)51-31)44(60)54-48-24-26-21-35(63-3)38(66-6)36(22-26)64-4/h7-8,11-14,19-24,31-32H,9-10,15-18H2,1-6H3,(H,45,55)(H,46,56)(H,51,57)(H,52,58)(H,53,59)(H,54,60)/b47-23+,48-24+
InChIKey SIKJLEZJYINPRF-AXITZHBMSA-N
Mol Weight 910.9 g/mol
Molecular Formula C44H50N10O12
Exact Mass 910.360967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63QnpEuHDO5
Name #6J;4,20-DI-(OXO-3,4,5-TRIMETHOXY-PHENYL-CARBOHYDRAZONYL-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
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H50N10O12
InChI InChI=1S/C44H50N10O12/c1-61-33-19-25(20-34(62-2)37(33)65-5)23-47-53-43(59)31-15-9-17-45-39(55)27-11-7-12-28(49-27)40(56)46-18-10-16-32(52-42(58)30-14-8-13-29(50-30)41(57)51-31)44(60)54-48-24-26-21-35(63-3)38(66-6)36(22-26)64-4/h7-8,11-14,19-24,31-32H,9-10,15-18H2,1-6H3,(H,45,55)(H,46,56)(H,51,57)(H,52,58)(H,53,59)(H,54,60)/b47-23+,48-24+
InChIKey SIKJLEZJYINPRF-AXITZHBMSA-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 910.941 g/mol
Sample ID 937
Solvent DMSO-D6