| SpectraBase Compound ID | 82Lh3xZ8cbU |
|---|---|
| InChI | InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33/h17-20,41,44H,9-16H2,1-8H3/b29-17-,30-18-,31-19-,32-20-,33-18-,34-17-,35-20-,36-19- |
| InChIKey | OVYASYKFNWTMII-QEMHYRKZSA-N |
| Mol Weight | 710.8 g/mol |
| Molecular Formula | C40H46N4O8 |
| Exact Mass | 710.331564 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 52lOd3iB5Xi |
|---|---|
| Name | 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl-, tetramethyl ester |
| CAS Registry Number | 25767-20-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H46N4O8 |
| InChI | InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33/h17-20,41,44H,9-16H2,1-8H3/b29-17-,30-18-,31-19-,32-20-,33-18-,34-17-,35-20-,36-19- |
| InChIKey | OVYASYKFNWTMII-QEMHYRKZSA-N |
| Molecular Weight | 710.828 g/mol |
| SMILES | [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3CCC(=O)OC)C)c(c1CCC(=O)OC)C)C)CCC(=O)OC |
| SPLASH | splash10-03di-0000002900-b755d565d54d51570179 |
| Source of Spectrum | W5-38398-27138-27138 |
| Synonyms | 2,7,12,17-Porphinetetrapropionic acid, 3,8,13,18-tetramethyl-, tetramethyl ester Coproporphyrin I permethylester Coproporphyrin I tetramethyl ester Coproporphyrin tetramethyl ester i Methyl 3-[9,14,19-tris(3-methoxy-3-oxopropyl)-5,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaen-4-yl]propanoate Tetramethyl 3,8,13,18-tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionate EINECS 247-253-5 NSC 89196 |
| Wiley ID | 1415353 |