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21H,23H-Porphine-2,18-dipropanoic acid, 7-(2,2-dimethoxyethyl)-12-formyl-3,8,13,17-tetramethyl-, dimethyl ester
SpectraBase Compound ID 3WSWbZlnYZu
InChI InChI=1S/C37H42N4O7/c1-19-23(9-11-35(43)45-5)31-17-32-24(10-12-36(44)46-6)20(2)29(39-32)15-33-25(13-37(47-7)48-8)21(3)30(40-33)16-34-26(18-42)22(4)28(41-34)14-27(19)38-31/h14-18,37,39,41H,9-13H2,1-8H3/b27-14-,28-14-,29-15-,30-16-,31-17-,32-17-,33-15-,34-16-
InChIKey GRUZULZMRZDEKT-SQJHHMDRSA-N
Mol Weight 654.8 g/mol
Molecular Formula C37H42N4O7
Exact Mass 654.30535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 500KB0nRDEV
Name 21H,23H-Porphine-2,18-dipropanoic acid, 7-(2,2-dimethoxyethyl)-12-formyl-3,8,13,17-tetramethyl-, dimethyl ester
CAS Registry Number 78437-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H42N4O7
InChI InChI=1S/C37H42N4O7/c1-19-23(9-11-35(43)45-5)31-17-32-24(10-12-36(44)46-6)20(2)29(39-32)15-33-25(13-37(47-7)48-8)21(3)30(40-33)16-34-26(18-42)22(4)28(41-34)14-27(19)38-31/h14-18,37,39,41H,9-13H2,1-8H3/b27-14-,28-14-,29-15-,30-16-,31-17-,32-17-,33-15-,34-16-
InChIKey GRUZULZMRZDEKT-SQJHHMDRSA-N
Molecular Weight 654.764 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CC(OC)OC)C)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C)C=O
SPLASH splash10-00di-0000019000-0d2e2024125d9947ce94
Source of Spectrum I-59-783-0
Synonyms 2-Formyl-4-(2,2-dimethoxyethyl)deuteroporphyrin dimethyl ester Methyl 3-[15-(2,2-dimethoxyethyl)-10-formyl-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-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),14,16,18-undecaen-4-yl]propanoate
Wiley ID 1413300