| SpectraBase Spectrum ID |
3pKsMzwgRNX |
| Name |
21H,23H-Porphine-2,7,18-tripropanoic acid, 13-(1-hydroxyethyl)-3,8,12,17-tetramethyl-, trimethyl ester |
| CAS Registry Number |
111342-40-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C38H44N4O7 |
| InChI |
InChI=1S/C38H44N4O7/c1-19-24(9-12-35(44)47-6)31-16-28-20(2)25(10-13-36(45)48-7)32(40-28)18-33-26(11-14-37(46)49-8)21(3)29(41-33)17-34-38(23(5)43)22(4)30(42-34)15-27(19)39-31/h15-18,23,40,42-43H,9-14H2,1-8H3/b27-15-,28-16-,29-17-,30-15-,31-16-,32-18-,33-18-,34-17- |
| InChIKey |
GWJLOGZHXNUKCS-ZYHOEOSWSA-N |
| Molecular Weight |
668.791 g/mol |
| SMILES |
[nH]1c2c(C(O)C)c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4CCC(=O)OC)C)[nH]3)CCC(=O)OC)C)c(c1C)CCC(=O)OC)C |
| SPLASH |
splash10-014i-0000009000-a5e7da188e73a8261d4d |
| Source of Spectrum |
KC-1987-273-3 |
| Synonyms |
4-(1-Hydroxyethyl)-1,6,7-tris-(2-methoxycarbonylethyl)-2,3,5,8-tetramethylporphyrin
methyl 3-[10-(1-hydroxyethyl)-15,19-bis(3-methoxy-3-oxopropyl)-5,9,14,20-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),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoate |
| Wiley ID |
1413855 |
