| SpectraBase Spectrum ID |
4Sz2ZiJeRwX |
| Name |
1-[2-Formyl-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-formyl-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether .beta.-isomer |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C70H74N8O11 |
| InChI |
InChI=1S/C70H74N8O11/c1-33-43(15-19-65(81)85-11)57-29-59-45(17-21-67(83)87-13)35(3)51(73-59)25-61-47(31-79)37(5)53(75-61)27-63-69(39(7)55(77-63)23-49(33)71-57)41(9)89-42(10)70-40(8)56-24-50-34(2)44(16-20-66(82)86-12)58(72-50)30-60-46(18-22-68(84)88-14)36(4)52(74-60)26-62-48(32-80)38(6)54(76-62)28-64(70)78-56/h23-32,41-42,73-74,77-78H,15-22H2,1-14H3/b49-23-,50-24-,51-25-,52-26-,53-27-,54-28-,55-23-,56-24-,57-29-,58-30-,59-29-,60-30-,61-25-,62-26-,63-27-,64-28-/t41-,42-/m1/s1 |
| InChIKey |
LWKHJZVBHVEXCI-ZJLYCSCHSA-N |
| Molecular Weight |
1203.407 g/mol |
| SMILES |
[nH]1c2c([C@](O[C@@](c3c4cc5nc(cc6c(c(c(cc7nc(cc(c3C)[nH]4)c(c7CCC(=O)OC)C)[nH]6)CCC(=O)OC)C)c(c5C)C=O)(C)[H])(C)[H])c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4C=O)C)[nH]3)C)CCC(=O)OC)c(c1C)CCC(=O)OC)C |
| SPLASH |
splash10-0udl-0090070000-ef76bb5072973f141586 |
| Source of Spectrum |
B-44-423-32 |
| Synonyms |
methyl 3-{15-formyl-10-[(1R)-1-[(1R)-1-[19-formyl-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-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]ethoxy]ethyl]-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-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 |
1418715 |
![1-[2-Formyl-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-formyl-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether .beta.-isomer](/api/spectrum/4Sz2ZiJeRwX/structure.png?h=300&w=458 "1-[2-Formyl-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-formyl-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether .beta.-isomer")
