| SpectraBase Compound ID | CSECN7qDBgw |
|---|---|
| InChI | InChI=1S/C72H78N8O9/c1-15-45-37(3)53-29-55-39(5)47(17-21-69(81)85-11)65(75-55)35-67-49(19-23-71(83)87-13)41(7)59(79-67)33-63-51(43(9)57(77-63)31-61(45)73-53)25-27-89-28-26-52-44(10)58-32-62-46(16-2)38(4)54(74-62)30-56-40(6)48(18-22-70(82)86-12)66(76-56)36-68-50(20-24-72(84)88-14)42(8)60(80-68)34-64(52)78-58/h15-16,29-36,75-78H,1-2,17-28H2,3-14H3/b53-29-,54-30-,55-29-,56-30-,57-31-,58-32-,59-33-,60-34-,61-31-,62-32-,63-33-,64-34-,65-35-,66-36-,67-35-,68-36- |
| InChIKey | MJFLOUJLRLEJHG-XIOZJWAYSA-N |
| Mol Weight | 1199.5 g/mol |
| Molecular Formula | C72H78N8O9 |
| Exact Mass | 1198.589176 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LTVpHTPSpKu |
|---|---|
| Name | 21H,23H-Porphine-2,18-dipropanoic acid, (oxydiethylidene)bis[ethenyl-3,17,?,?-tetramethyl-, dimethyl ester |
| CAS Registry Number | 131755-97-0 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C72H78N8O9 |
| InChI | InChI=1S/C72H78N8O9/c1-15-45-37(3)53-29-55-39(5)47(17-21-69(81)85-11)65(75-55)35-67-49(19-23-71(83)87-13)41(7)59(79-67)33-63-51(43(9)57(77-63)31-61(45)73-53)25-27-89-28-26-52-44(10)58-32-62-46(16-2)38(4)54(74-62)30-56-40(6)48(18-22-70(82)86-12)66(76-56)36-68-50(20-24-72(84)88-14)42(8)60(80-68)34-64(52)78-58/h15-16,29-36,75-78H,1-2,17-28H2,3-14H3/b53-29-,54-30-,55-29-,56-30-,57-31-,58-32-,59-33-,60-34-,61-31-,62-32-,63-33-,64-34-,65-35-,66-36-,67-35-,68-36- |
| InChIKey | MJFLOUJLRLEJHG-XIOZJWAYSA-N |
| Molecular Weight | 1199.463 g/mol |
| SMILES | [nH]1c2cc3nc(cc4c(c(CCOCCc5c6cc7nc(cc8c(c(c(cc9nc(cc(c5C)[nH]6)c(c9C)C=C)[nH]8)C)CCC(=O)OC)c(c7C)CCC(=O)OC)c(cc5nc(cc1c(c2C)CCC(=O)OC)c(c5C)CCC(=O)OC)[nH]4)C)c(c3C)C=C |
| SPLASH | splash10-0005-0900050000-8c10c18251519606757c |
| Source of Spectrum | B-43-1904-16 |
| Synonyms | .alpha.-2,4-bis(2,4,5,8-tetramethyl-3-ethenyl-6,7-di(2-methoxycarbonylethylporphinyl)-3-oxapentane .beta.-2,4-bis(2,4,5,8-tetramethyl-3-ethenyl-6,7-di(2-methoxycarbonylethylporphinyl)-3-oxapentane methyl 3-[14-ethenyl-9-(2-{2-[9-ethenyl-15,19-bis(3-methoxy-3-oxopropyl)-5,10,14,20-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)-5,10,15,19-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 | 1418708 |