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21H,23H-Porphine-2,7,18-tripropanoic acid, 12-formyl-3,8,13,17-tetramethyl-, trimethyl ester
SpectraBase Compound ID JvsoRfQVgYK
InChI InChI=1S/C37H40N4O7/c1-19-24(9-12-36(44)47-6)32-17-33-25(10-13-37(45)48-7)21(3)29(40-33)15-31-23(8-11-35(43)46-5)20(2)30(39-31)16-34-26(18-42)22(4)28(41-34)14-27(19)38-32/h14-18,40-41H,8-13H2,1-7H3/b27-14-,28-14-,29-15-,30-16-,31-15-,32-17-,33-17-,34-16-
InChIKey STDIQRVIQXZEIA-XWUYWKTGSA-N
Mol Weight 652.7 g/mol
Molecular Formula C37H40N4O7
Exact Mass 652.2897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5ON3JN37hI
Name 21H,23H-Porphine-2,7,18-tripropanoic acid, 12-formyl-3,8,13,17-tetramethyl-, trimethyl ester
CAS Registry Number 62786-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40N4O7
InChI InChI=1S/C37H40N4O7/c1-19-24(9-12-36(44)47-6)32-17-33-25(10-13-37(45)48-7)21(3)29(40-33)15-31-23(8-11-35(43)46-5)20(2)30(39-31)16-34-26(18-42)22(4)28(41-34)14-27(19)38-32/h14-18,40-41H,8-13H2,1-7H3/b27-14-,28-14-,29-15-,30-16-,31-15-,32-17-,33-17-,34-16-
InChIKey STDIQRVIQXZEIA-XWUYWKTGSA-N
Molecular Weight 652.748 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)c(c1C)CCC(=O)OC)C=O)C
SPLASH splash10-0udi-0000019000-d856fad9fc27e9c67564
Source of Spectrum KC-1976-2500-0
Synonyms 2-Formyl-4,6,7-tris-(2-methoxycarbonylethyl)-1,3,5,8-tetramethylporphin Methyl 3-[10-formyl-15,20-bis(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 1413219