| SpectraBase Spectrum ID |
CBitTy04gOK |
| Name |
21H,23H-Porphyrin-2,7,18-tripropanoic acid, 12-(3-methoxy-3-oxo-1-propenyl)-3,8,13,17-tetramethyl-, trimethyl ester |
| CAS Registry Number |
31034-73-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H44N4O8 |
| InChI |
InChI=1S/C40H44N4O8/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)26(10-14-38(46)50-6)34(43-31)19-32-24(4)28(12-16-40(48)52-8)36(44-32)20-35-27(11-15-39(47)51-7)22(2)30(42-35)17-29(21)41-33/h9,13,17-20,41,44H,10-12,14-16H2,1-8H3/b13-9+,29-17-,30-17-,31-18-,32-19-,33-18-,34-19-,35-20-,36-20- |
| InChIKey |
AFWQMMVOFPRTAE-YPAMSTEJSA-N |
| Molecular Weight |
708.812 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)c(c1C)CCC(=O)OC)\C=C\C(=O)OC)C |
| SPLASH |
splash10-0a4i-0000001900-7495c090c88e2a38a48b |
| Source of Spectrum |
KC-1976-2500-0 |
| Synonyms |
2,6,7-tris-(2-methoxycarbonylethyl)-4-(2-methoxycarbonylvinyl)-1,3,5,8-tetramethylporphin
21H,23H-porphine-2,7,18-tripropanoic acid, 12-(3-methoxy-3-oxo-1-propenyl)-3,8,13,17-tetramethyl-, trimethyl ester
4,6,7-tris-(2-methoxycarbonylethyl)-2-(2-methoxycarbonylvinyl)-1,3,5,8-tetramethylporphin
methyl (2E)-3-[10,14,19-tris(3-methoxy-3-oxopropyl)-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]-2-propenoate
Porphyrin S 411 tetramethyl ester |
| Wiley ID |
1415279 |
