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21H,23H-Porphine-2,7,18-tripropanoic acid, 12-acetyl-3,8,13,17-tetramethyl-, trimethyl ester
SpectraBase Compound ID 5pRIr4FShD0
InChI InChI=1S/C38H42N4O7/c1-19-25(10-13-36(45)48-7)32-18-33-26(11-14-37(46)49-8)20(2)28(40-33)16-31-24(9-12-35(44)47-6)21(3)29(41-31)17-34-38(23(5)43)22(4)30(42-34)15-27(19)39-32/h15-18,40,42H,9-14H2,1-8H3/b27-15-,28-16-,29-17-,30-15-,31-16-,32-18-,33-18-,34-17-
InChIKey OYXSNEPRPDLGSA-ZYHOEOSWSA-N
Mol Weight 666.8 g/mol
Molecular Formula C38H42N4O7
Exact Mass 666.30535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTcuFqTuo1r
Name 21H,23H-Porphine-2,7,18-tripropanoic acid, 12-acetyl-3,8,13,17-tetramethyl-, trimethyl ester
Alternate Name(s) 2-Acetyl-4,6,7-tris[2-(methoxycarbonyl)ethyl]-1,3,5,8-tetramethylporphyrin Methyl 3-[10-acetyl-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
CAS Registry Number 63900-86-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42N4O7
InChI InChI=1S/C38H42N4O7/c1-19-25(10-13-36(45)48-7)32-18-33-26(11-14-37(46)49-8)20(2)28(40-33)16-31-24(9-12-35(44)47-6)21(3)29(41-31)17-34-38(23(5)43)22(4)30(42-34)15-27(19)39-32/h15-18,40,42H,9-14H2,1-8H3/b27-15-,28-16-,29-17-,30-15-,31-16-,32-18-,33-18-,34-17-
InChIKey OYXSNEPRPDLGSA-ZYHOEOSWSA-N
Molecular Weight 666.775 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)C
SPLASH splash10-014i-0000049000-6c9b326c2ee85af7826a
Source of Spectrum J-48-505-0
Wiley ID 1413785