| SpectraBase Compound ID | 7ZLE8l2uNbr |
|---|---|
| InChI | InChI=1S/C72H78N8O11/c1-33-45(17-21-65(83)87-13)57-31-59-47(19-23-67(85)89-15)35(3)51(75-59)27-63-71(39(7)55(79-63)29-61-69(41(9)81)37(5)53(77-61)25-49(33)73-57)43(11)91-44(12)72-40(8)56-30-62-70(42(10)82)38(6)54(78-62)26-50-34(2)46(18-22-66(84)88-14)58(74-50)32-60-48(20-24-68(86)90-16)36(4)52(76-60)28-64(72)80-56/h25-32,43-44,73-74,79-80H,17-24H2,1-16H3/b49-25-,50-26-,51-27-,52-28-,53-25-,54-26-,55-29-,56-30-,57-31-,58-32-,59-31-,60-32-,61-29-,62-30-,63-27-,64-28- |
| InChIKey | BSOIJAAJRANSAE-ZBBNYIMUSA-N |
| Mol Weight | 1231.5 g/mol |
| Molecular Formula | C72H78N8O11 |
| Exact Mass | 1230.579005 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BnKGsQpDggV |
|---|---|
| Name | 21H,23H-Porphine-2,18-dipropanoic acid, (oxydiethylidene)bis[acetyl-3,17,?,?-tetramethyl-, dimethyl ester |
| CAS Registry Number | 131755-95-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C72H78N8O11 |
| InChI | InChI=1S/C72H78N8O11/c1-33-45(17-21-65(83)87-13)57-31-59-47(19-23-67(85)89-15)35(3)51(75-59)27-63-71(39(7)55(79-63)29-61-69(41(9)81)37(5)53(77-61)25-49(33)73-57)43(11)91-44(12)72-40(8)56-30-62-70(42(10)82)38(6)54(78-62)26-50-34(2)46(18-22-66(84)88-14)58(74-50)32-60-48(20-24-68(86)90-16)36(4)52(76-60)28-64(72)80-56/h25-32,43-44,73-74,79-80H,17-24H2,1-16H3/b49-25-,50-26-,51-27-,52-28-,53-25-,54-26-,55-29-,56-30-,57-31-,58-32-,59-31-,60-32-,61-29-,62-30-,63-27-,64-28- |
| InChIKey | BSOIJAAJRANSAE-ZBBNYIMUSA-N |
| Molecular Weight | 1231.461 g/mol |
| SMILES | [nH]1c2cc3nc(cc4c(c(C(OC(c5c6cc7nc(cc8c(c(c(cc9nc(cc(c5C)[nH]6)c(c9C)C(=O)C)[nH]8)C)CCC(=O)OC)c(c7C)CCC(=O)OC)C)C)c(cc5nc(cc1c(c2C)CCC(=O)OC)c(c5C)CCC(=O)OC)[nH]4)C)c(c3C)C(=O)C |
| SPLASH | splash10-001l-0090042000-76874bf71575332bf01e |
| Source of Spectrum | B-43-1904-20 |
| Synonyms | 2,4-bis(2,4,5,8-tetramethyl-3-acetyl-6,7-(2-methoxycarbonylethyl)porphinyl)-3-oxapentane 2-(2,4,5,8-Tetramethyl-3-ethenyl-6,7-(2-methoxycarbonylethyl)porphinyl)-4-(2,3,6,8-tetramethyl-4,5-di(2-methoxycarbonylethyl)-7-(formylethenylene)-8-hydroxyporphinyl)-3-oxapentane Methyl 3-[14-acetyl-9-(1-{1-[9-acetyl-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 | 1418752 |