| SpectraBase Spectrum ID |
8CRpYT0p39M |
| Name |
21H,23H-Porphine-2,7,18-tripropanoic acid, 3,8,13,17-tetramethyl-, trimethyl ester |
| Alternate Name(s) |
4,6,7-tris-(2-methoxycarbonylethyl)-1,3,5,8-tetramethyl porphin
Chlorin-p6-trimethyl ester
methyl 3-[15,19-bis(3-methoxy-3-oxopropyl)-5,10,14,20-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 |
| CAS Registry Number |
62786-89-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H40N4O6 |
| InChI |
InChI=1S/C36H40N4O6/c1-19-14-23-15-28-20(2)24(8-11-34(41)44-5)31(38-28)17-30-22(4)26(10-13-36(43)46-7)33(40-30)18-32-25(9-12-35(42)45-6)21(3)29(39-32)16-27(19)37-23/h14-18,37,40H,8-13H2,1-7H3/b23-15-,27-16-,28-15-,29-16-,30-17-,31-17-,32-18-,33-18- |
| InChIKey |
NGVHKSOVBMAQKA-PZDDCRRUSA-N |
| Molecular Weight |
624.738 g/mol |
| SMILES |
[nH]1c2c(cc1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)c(c1C)CCC(=O)OC)C |
| SPLASH |
splash10-00di-0000029000-9bd77e08283040a32690 |
| Source of Spectrum |
KC-1976-2499-0 |
| Wiley ID |
1411782 |
