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#3C;5,8,13,16,28,31,36,39,51,54,59,62-DODECAMETHYL-2,19,25,42,48,65-HEXAOXO-3,7,14,18,26,30,37,41,49,53,60,64,71,74,78,81,85,88-OCTADECAOXATRIADECACYCLO-[64.3.
SpectraBase Compound ID FKWINyQ0kH3
InChI InChI=1S/C84H96O24/c1-73-37-91-67(85)55-16-13-17-56(34-55)68(86)92-38-74(2)47-101-81(9,102-48-74)63-26-28-64(29-27-63)82(10)103-49-77(5,50-104-82)41-95-71(89)59-20-15-21-60(36-59)72(90)96-42-78(6)53-107-84(12,108-54-78)66-32-30-65(31-33-66)83(11)105-51-76(4,52-106-83)40-94-70(88)58-19-14-18-57(35-58)69(87)93-39-75(3)45-99-80(8,100-46-75)62-24-22-61(23-25-62)79(7,97-43-73)98-44-73/h13-36H,37-54H2,1-12H3/t73-,74-,75-,76-,77-,78-,79+,80+,81+,82+,83+,84+
InChIKey ZIQRYWLHCGLBMF-KPXZJOKBSA-N
Mol Weight 1489.7 g/mol
Molecular Formula C84H96O24
Exact Mass 1488.629154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39nCzyp89Bq
Name #3C;5,8,13,16,28,31,36,39,51,54,59,62-DODECAMETHYL-2,19,25,42,48,65-HEXAOXO-3,7,14,18,26,30,37,41,49,53,60,64,71,74,78,81,85,88-OCTADECAOXATRIADECACYCLO-[64.3.
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H96O24
InChI InChI=1S/C84H96O24/c1-73-37-91-67(85)55-16-13-17-56(34-55)68(86)92-38-74(2)47-101-81(9,102-48-74)63-26-28-64(29-27-63)82(10)103-49-77(5,50-104-82)41-95-71(89)59-20-15-21-60(36-59)72(90)96-42-78(6)53-107-84(12,108-54-78)66-32-30-65(31-33-66)83(11)105-51-76(4,52-106-83)40-94-70(88)58-19-14-18-57(35-58)69(87)93-39-75(3)45-99-80(8,100-46-75)62-24-22-61(23-25-62)79(7,97-43-73)98-44-73/h13-36H,37-54H2,1-12H3/t73-,74-,75-,76-,77-,78-,79+,80+,81+,82+,83+,84+
InChIKey ZIQRYWLHCGLBMF-KPXZJOKBSA-N
Literature Reference Author M.BALOG,I.GROSU,G.PLE,Y.RAMONDENC,E.CONDAMINE,R.A.VARGA
Literature Reference Citation J.ORG.CHEM.,69,1337(2004)
Literature Reference DOI 10.1021/jo0353987
Molecular Weight 1489.672 g/mol
Solvent CDCl3
Source File Reference UWVN21629