| SpectraBase Spectrum ID |
CuSWu6wA2oJ |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 20-(benzoyloxy)-7,12-diethenyl-3,8,13,17-tetramethyl-, dimethyl ester |
| Alternate Name(s) |
4,20-bis(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-9,14-divinyl-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-2-yl benzoate
Isomer i, .gamma.-benzoyloxyproporphyrin-ix dimethyl ester |
| CAS Registry Number |
83807-57-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C43H42N4O6 |
| InChI |
InChI=1S/C43H42N4O6/c1-9-28-23(3)32-20-34-25(5)30(16-18-38(48)51-7)40(46-34)42(53-43(50)27-14-12-11-13-15-27)41-31(17-19-39(49)52-8)26(6)35(47-41)22-37-29(10-2)24(4)33(45-37)21-36(28)44-32/h9-15,20-22,44,47H,1-2,16-19H2,3-8H3/b32-20-,33-21-,34-20-,35-22-,36-21-,37-22-,42-40+,42-41+ |
| InChIKey |
NWCRWQAIHYRDLY-RAHYMTHASA-N |
| Molecular Weight |
710.831 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(c(c4nc(c2)c(c4CCC(=O)OC)C)OC(=O)c2ccccc2)c(c3C)CCC(=O)OC)c(c1C)C=C)C=C)C |
| SPLASH |
splash10-03di-0000000900-68eb72946aca41efbc67 |
| Source of Spectrum |
KC-1987-310-13 |
| Wiley ID |
1415358 |
