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Dimethyl 3-hydroxy-2-[(methoxycarbonyl)methyl]-2,7,12,18-tetramethyl-2,3-dihydro-porphyrine-13,17-diyl-dipropionate
SpectraBase Compound ID 7mbIS9YorvN
InChI InChI=1S/C35H40N4O7/c1-18-12-21-13-25-19(2)22(8-10-31(40)44-5)27(37-25)15-28-23(9-11-32(41)45-6)20(3)26(38-28)16-30-35(4,17-33(42)46-7)34(43)29(39-30)14-24(18)36-21/h12-16,34,37,39,43H,8-11,17H2,1-7H3/b21-13-,28-15-,29-14-,30-16-/t34-,35-/m1/s1
InChIKey YFBLTPFYQPIYDC-WMQPYXGISA-N
Mol Weight 628.7 g/mol
Molecular Formula C35H40N4O7
Exact Mass 628.2897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9TpQmS4XMG
Name Dimethyl 3-hydroxy-2-[(methoxycarbonyl)methyl]-2,7,12,18-tetramethyl-2,3-dihydro-porphyrine-13,17-diyl-dipropionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H40N4O7
InChI InChI=1S/C35H40N4O7/c1-18-12-21-13-25-19(2)22(8-10-31(40)44-5)27(37-25)15-28-23(9-11-32(41)45-6)20(3)26(38-28)16-30-35(4,17-33(42)46-7)34(43)29(39-30)14-24(18)36-21/h12-16,34,37,39,43H,8-11,17H2,1-7H3/b21-13-,28-15-,29-14-,30-16-/t34-,35-/m1/s1
InChIKey YFBLTPFYQPIYDC-WMQPYXGISA-N
Molecular Weight 628.726 g/mol
SMILES O[C@@]1(c2cc3nc(cc4[nH]c(cc5nc(cc([C@]1(CC(=O)OC)C)[nH]2)c(c5CCC(=O)OC)C)c(c4C)CCC(=O)OC)cc3C)[H]
SPLASH splash10-004i-0000039000-cf0a853109e8ed4aedcb
Source of Spectrum U-1995-1625-3
Synonyms 3-[(5Z,10Z,14Z,19Z)-(12S,13R)-12-Hydroxy-18-(2-methoxycarbonyl-ethyl)-13-methoxycarbonylmethyl-3,8,13,17-tetramethyl-12,13,21,23-tetrahydro-porphin-2-yl]-propionic acid methyl ester Methyl 3-[10-hydroxy-9-(2-methoxy-2-oxoethyl)-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),7,11,13(22),14,16,18-decaen-4-yl]propanoate
Wiley ID 767647