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8-Ethyl-2-hydroxy-3-(2-oxoethylidene)-2,3-dihydrodeuteroporphyrin-ix, dimethyl ester
SpectraBase Compound ID 7juHOe38qgn
InChI InChI=1S/C36H40N4O6/c1-8-22-19(2)27-16-32-25(13-14-41)36(5,44)33(40-32)18-28-21(4)24(10-12-35(43)46-7)31(39-28)17-30-23(9-11-34(42)45-6)20(3)26(38-30)15-29(22)37-27/h13-18,37,39,44H,8-12H2,1-7H3/b25-13+,26-15-,27-16-,28-18-,29-15-,30-17-,31-17-,32-16-,33-18-
InChIKey RSXUYCMOPZXFKT-PTCQXXEXSA-N
Mol Weight 624.7 g/mol
Molecular Formula C36H40N4O6
Exact Mass 624.294785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sxQOjRHenG
Name 8-Ethyl-2-hydroxy-3-(2-oxoethylidene)-2,3-dihydrodeuteroporphyrin-ix, dimethyl ester
Alternate Name(s) 8-Ethyl-2-hydroxy-3-(2-oxoethyliden)-2,3-dihydrodeuteroporphyrin-ix-dimethyleste 8-Ethyl-2-hydroxy-3-(2-oxoethyliden)-2,3-dihydrodeuteroporphyrin-ix-dimethylester Methyl 3-[(10E)-15-ethyl-9-hydroxy-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-10-(2-oxoethylidene)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,11(23),12,14,16,18(21),19-decaen-4-yl]propanoate
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Formula C36H40N4O6
InChI InChI=1S/C36H40N4O6/c1-8-22-19(2)27-16-32-25(13-14-41)36(5,44)33(40-32)18-28-21(4)24(10-12-35(43)46-7)31(39-28)17-30-23(9-11-34(42)45-6)20(3)26(38-30)15-29(22)37-27/h13-18,37,39,44H,8-12H2,1-7H3/b25-13+,26-15-,27-16-,28-18-,29-15-,30-17-,31-17-,32-16-,33-18-
InChIKey RSXUYCMOPZXFKT-PTCQXXEXSA-N
Molecular Weight 624.738 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4c(c(c(c2)n4)CCC(=O)OC)C)c(c3C)CC)\C(C1(C)O)=C/C=O)C)CCC(=O)OC
SPLASH splash10-00di-1000159000-9335aecadd589075c8fa
Wiley ID 1477064