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3-Ethyl-7-hydroxy-8-(2-oxoethylidene)-7,8-dihydrodeuteroporphyrin-ix, dimethyl ester
SpectraBase Compound ID 4PzRMGqnbi8
InChI InChI=1S/C36H40N4O6/c1-8-22-19(2)26-15-27-20(3)23(9-11-34(42)45-6)29(37-27)17-30-24(10-12-35(43)46-7)21(4)28(38-30)16-32-25(13-14-41)36(5,44)33(40-32)18-31(22)39-26/h13-18,38-39,44H,8-12H2,1-7H3/b25-13-,26-15-,27-15-,28-16-,29-17-,30-17-,31-18-,32-16-,33-18-
InChIKey KZSZFXWEUVCARJ-VVXKPJGWSA-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 29WBQMrraol
Name 3-Ethyl-7-hydroxy-8-(2-oxoethylidene)-7,8-dihydrodeuteroporphyrin-ix, dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40N4O6
InChI InChI=1S/C36H40N4O6/c1-8-22-19(2)26-15-27-20(3)23(9-11-34(42)45-6)29(37-27)17-30-24(10-12-35(43)46-7)21(4)28(38-30)16-32-25(13-14-41)36(5,44)33(40-32)18-31(22)39-26/h13-18,38-39,44H,8-12H2,1-7H3/b25-13-,26-15-,27-15-,28-16-,29-17-,30-17-,31-18-,32-16-,33-18-
InChIKey KZSZFXWEUVCARJ-VVXKPJGWSA-N
Molecular Weight 624.738 g/mol
SMILES [nH]1c2cc3nc(cc4c(c(c(cc5C(\C(c(cc1c(c2CCC(=O)OC)C)n5)=C/C=O)(C)O)[nH]4)CC)C)c(c3CCC(=O)OC)C
SPLASH splash10-00ai-2220296000-7af5f556f7a42b04a32e
Synonyms 3-Ethyl-7-hydroxy-8-(2-oxoethyliden)-7,8-dihydrodeuteroporphyrin-ix-dimethyleste 3-Ethyl-7-hydroxy-8-(2-oxoethyliden)-7,8-dihydrodeuteroporphyrin-ix-dimethylester Methyl 3-[(15Z)-10-ethyl-14-hydroxy-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-15-(2-oxoethylidene)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16,18-decaen-4-yl]propanoate
Wiley ID 1477069