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2,3,7,8,12,13,17,18-Octaethyl-7,8-dihydroxy-21H,23H-porphine

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2,3,7,8,12,13,17,18-Octaethyl-7,8-dihydroxy-21H,23H-porphine
SpectraBase Compound ID AmKTKok92TU
InChI InChI=1S/C36H48N4O2/c1-9-21-22(10-2)28-18-30-24(12-4)26(14-6)32(39-30)20-34-36(42,16-8)35(41,15-7)33(40-34)19-31-25(13-5)23(11-3)29(38-31)17-27(21)37-28/h17-20,38-39,41-42H,9-16H2,1-8H3/b27-17-,28-18-,29-17-,30-18-,31-19-,32-20-,33-19-,34-20-
InChIKey CXEVPNBRRVQOBC-IZOYJUGISA-N
Mol Weight 568.8 g/mol
Molecular Formula C36H48N4O2
Exact Mass 568.377727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12SLjFIIzNU
Name 2,3,7,8,12,13,17,18-Octaethyl-7,8-dihydroxy-21H,23H-porphine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.377726800 u
Formula C36H48N4O2
InChI InChI=1S/C36H48N4O2/c1-9-21-22(10-2)28-18-30-24(12-4)26(14-6)32(39-30)20-34-36(42,16-8)35(41,15-7)33(40-34)19-31-25(13-5)23(11-3)29(38-31)17-27(21)37-28/h17-20,38-39,41-42H,9-16H2,1-8H3/b27-17-,28-18-,29-17-,30-18-,31-19-,32-20-,33-19-,34-20-
InChIKey CXEVPNBRRVQOBC-IZOYJUGISA-N
Molecular Weight 568.806 g/mol
SMILES C1=2NC(=CC3=NC(=CC4=C(C(=C(C=C5N=C(C2)C(C5(CC)O)(CC)O)N4)CC)CC)C(=C3CC)CC)C(=C1CC)CC