SpectraBase Spectrum ID |
BVmujqMVY1b |
Name |
21H,23H-Porphine-2,18-dipropanoic acid, 8-(2,2-dimethoxyethyl)-13-formyl-3,7,12,17-tetramethyl-, dimethyl ester |
CAS Registry Number |
78422-42-1 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C37H42N4O7 |
InChI |
InChI=1S/C37H42N4O7/c1-19-23(9-11-35(43)45-5)31-16-32-24(10-12-36(44)46-6)20(2)28(39-32)15-30-22(4)26(18-42)34(41-30)17-33-25(13-37(47-7)48-8)21(3)29(40-33)14-27(19)38-31/h14-18,37-38,41H,9-13H2,1-8H3/b27-14-,28-15-,29-14-,30-15-,31-16-,32-16-,33-17-,34-17- |
InChIKey |
XIYMPFAWRLICQP-CITQKDKPSA-N |
Molecular Weight |
654.764 g/mol |
SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)c(c1CC(OC)OC)C)C=O)C |
SPLASH |
splash10-00di-0000029000-24db3f6653bb04a91031 |
Source of Spectrum |
I-59-783-0 |
Synonyms |
2-(2,2-Dimethoxyethyl)-4-formyldeuteroporphyrin dimethyl ester
Methyl 3-[10-(2,2-dimethoxyethyl)-14-formyl-20-(3-methoxy-3-oxopropyl)-5,9,15,19-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 |
1413301 |