| SpectraBase Compound ID | KN00XHDV8Ig |
|---|---|
| InChI | InChI=1S/C72H82N8O8/c1-37-39(3)55-31-59-43(7)49(21-25-69(81)85-11)65(77-59)35-67-51(23-27-71(83)87-13)45(9)61(79-67)33-63-47(41(5)57(75-63)29-53(37)73-55)19-17-15-16-18-20-48-42(6)58-30-54-38(2)40(4)56(74-54)32-60-44(8)50(22-26-70(82)86-12)66(78-60)36-68-52(24-28-72(84)88-14)46(10)62(80-68)34-64(48)76-58/h29-36,75-78H,15-28H2,1-14H3/b53-29-,54-30-,55-31-,56-32-,57-29-,58-30-,59-31-,60-32-,61-33-,62-34-,63-33-,64-34-,65-35-,66-36-,67-35-,68-36- |
| InChIKey | PPPRGGZVQBWTHD-DRUZGVRVSA-N |
| Mol Weight | 1187.5 g/mol |
| Molecular Formula | C72H82N8O8 |
| Exact Mass | 1186.625562 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | mLrFkmlDH7 |
|---|---|
| Name | 21H,23H-Porphine-2,18-dipropanoic acid, 8,8'-(1,6-hexanediyl)bis[3,7,12,13,17-pentamethyl-, tetramethyl ester |
| CAS Registry Number | 112821-95-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C72H82N8O8 |
| InChI | InChI=1S/C72H82N8O8/c1-37-39(3)55-31-59-43(7)49(21-25-69(81)85-11)65(77-59)35-67-51(23-27-71(83)87-13)45(9)61(79-67)33-63-47(41(5)57(75-63)29-53(37)73-55)19-17-15-16-18-20-48-42(6)58-30-54-38(2)40(4)56(74-54)32-60-44(8)50(22-26-70(82)86-12)66(78-60)36-68-52(24-28-72(84)88-14)46(10)62(80-68)34-64(48)76-58/h29-36,75-78H,15-28H2,1-14H3/b53-29-,54-30-,55-31-,56-32-,57-29-,58-30-,59-31-,60-32-,61-33-,62-34-,63-33-,64-34-,65-35-,66-36-,67-35-,68-36- |
| InChIKey | PPPRGGZVQBWTHD-DRUZGVRVSA-N |
| Molecular Weight | 1187.496 g/mol |
| SMILES | [nH]1c2c(c(c1cc1nc(cc3c(c(CCCCCCc4c5cc6nc(cc7c(c(c(cc8nc(cc(c4C)[nH]5)c(c8C)C)[nH]7)C)CCC(=O)OC)c(c6C)CCC(=O)OC)c(cc4nc(c2)c(c4C)CCC(=O)OC)[nH]3)C)c(c1C)C)C)CCC(=O)OC |
| SPLASH | splash10-0ufu-0000091001-3e21b2d3cc6647aca391 |
| Source of Spectrum | Y-25-888-6 |
| Synonyms | 2,2'-bis[3,7,8,12,18-pentamethyl-13,17-(2-methoxycarbonylethyl)porphyrinato]hexane-1,6 Methyl 3-(9-{6-[15,19-bis(3-methoxy-3-oxopropyl)-5,9,10,14,20-pentamethyl-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-4-yl]hexyl}-20-(3-methoxy-3-oxopropyl)-5,10,14,15,19-pentamethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl)propanoate |
| Wiley ID | 1418689 |