| SpectraBase Spectrum ID |
LPNjqbQzKj7 |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 7-(2-cyanoethyl)-12-(3-methoxy-3-oxo-1-propenyl)-3,8,13,17-tetramethyl-, dimethyl ester |
| CAS Registry Number |
78422-48-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H41N5O6 |
| InChI |
InChI=1S/C39H41N5O6/c1-21-25(9-8-16-40)33-18-32-24(4)28(12-15-39(47)50-7)36(44-32)20-35-27(11-14-38(46)49-6)23(3)30(42-35)17-29-22(2)26(10-13-37(45)48-5)34(41-29)19-31(21)43-33/h10,13,17-20,41,44H,8-9,11-12,14-15H2,1-7H3/b13-10+,29-17-,30-17-,31-19-,32-18-,33-18-,34-19-,35-20-,36-20- |
| InChIKey |
BBHNXDJGNPLLSM-QRADMGKVSA-N |
| Molecular Weight |
675.786 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#N)\C=C\C(=O)OC)C |
| SPLASH |
splash10-004i-0000009000-f84d7409c353073ffc02 |
| Source of Spectrum |
I-59-784-0 |
| Synonyms |
2-Methoxycarbonylvinyl-4-(2-bromoethyl)deuteroporphyrin dimethyl ester
7-(2-Cyanoethyl)-12-(3-methoxy-3-oxo-1-propenyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid, dimethyl ester
Methyl (2E)-3-[19-(2-cyanoethyl)-10,14-bis(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 |
| Wiley ID |
1414130 |
