| SpectraBase Spectrum ID |
3MDu2lMlBQ |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 8-[1-(2-hydroxy-5-methylphenyl)ethyl]-3,7,12,17-tetramethyl-, dimethyl ester |
| CAS Registry Number |
77745-12-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C41H44N4O5 |
| InChI |
InChI=1S/C41H44N4O5/c1-21-9-12-38(46)30(15-21)25(5)41-26(6)34-19-33-24(4)29(11-14-40(48)50-8)36(44-33)20-35-28(10-13-39(47)49-7)23(3)32(43-35)17-27-16-22(2)31(42-27)18-37(41)45-34/h9,12,15-20,25,42,44,46H,10-11,13-14H2,1-8H3/b27-17-,31-18-,32-17-,33-19-,34-19-,35-20-,36-20-,37-18- |
| InChIKey |
IWVYIIRBWIALSM-MLCRFHDYSA-N |
| Molecular Weight |
672.826 g/mol |
| SMILES |
[nH]1c2cc3nc(cc4c(c(c(cc5c(c(C(c6c(ccc(c6)C)O)C)c(cc1c(c2)C)n5)C)[nH]4)C)CCC(=O)OC)c(c3C)CCC(=O)OC |
| SPLASH |
splash10-00y0-0000597000-83afddb1e19ce39e9027 |
| Source of Spectrum |
J-46-3501-0 |
| Synonyms |
Bis(methyl ester) of 2-(and 4-)[1-(2-hydroxy-5-methylphenyl)ethyl]deuteroporphyrin
Methyl 3-[10-[1-(2-hydroxy-5-methylphenyl)ethyl]-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-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoate |
| Wiley ID |
1414022 |
![21H,23H-Porphine-2,18-dipropanoic acid, 8-[1-(2-hydroxy-5-methylphenyl)ethyl]-3,7,12,17-tetramethyl-, dimethyl ester](/api/spectrum/3MDu2lMlBQ/structure.png?h=300&w=458 "21H,23H-Porphine-2,18-dipropanoic acid, 8-[1-(2-hydroxy-5-methylphenyl)ethyl]-3,7,12,17-tetramethyl-, dimethyl ester")
