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Dimethyl 3,3'-[(3RS-trans)-2-(dimethylcarbamoyl)methyl-3-heptyl-2,7,12,18-tetramethyl-2,3-dihydroporphyrine-13,17-diyl]dipropionate
SpectraBase Compound ID 1UX2DHppIk3
InChI InChI=1S/C43H57N5O5/c1-10-11-12-13-14-15-32-38-22-33-26(2)20-29(44-33)21-34-27(3)30(16-18-41(50)52-8)36(45-34)23-37-31(17-19-42(51)53-9)28(4)35(46-37)24-39(47-38)43(32,5)25-40(49)48(6)7/h20-24,32,45,47H,10-19,25H2,1-9H3/b29-21-,37-23-,38-22-,39-24-/t32-,43+/m1/s1
InChIKey WRGPZYNAXZMNFB-DDRAUKJZSA-N
Mol Weight 724.0 g/mol
Molecular Formula C43H57N5O5
Exact Mass 723.43597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDhnSRErU9K
Name Dimethyl 3,3'-[(3RS-trans)-2-(dimethylcarbamoyl)methyl-3-heptyl-2,7,12,18-tetramethyl-2,3-dihydroporphyrine-13,17-diyl]dipropionate
CAS Registry Number 138749-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H57N5O5
InChI InChI=1S/C43H57N5O5/c1-10-11-12-13-14-15-32-38-22-33-26(2)20-29(44-33)21-34-27(3)30(16-18-41(50)52-8)36(45-34)23-37-31(17-19-42(51)53-9)28(4)35(46-37)24-39(47-38)43(32,5)25-40(49)48(6)7/h20-24,32,45,47H,10-19,25H2,1-9H3/b29-21-,37-23-,38-22-,39-24-/t32-,43+/m1/s1
InChIKey WRGPZYNAXZMNFB-DDRAUKJZSA-N
Molecular Weight 723.959 g/mol
SMILES [nH]1c2[C@]([C@@](c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)cc1C)(CCCCCCC)[H])(CC(N(C)C)=O)C
SPLASH splash10-000i-0000009100-24aa5acf91d3c071e0e4
Source of Spectrum U-1992-335-0
Wiley ID 764021