| SpectraBase Compound ID | 8Dc9ORttod8 |
|---|---|
| InChI | InChI=1S/C48H52N4O16.Fe/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-34-27(11-15-43(55)63-3)31(19-47(59)67-7)39(51-34)24-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)23-35-26(10-14-42(54)62-2)30(18-46(58)66-6)38(50-35)21-33(25)49-37;/h21-24H,9-20H2,1-8H3;/q-2;+2/b33-21-,34-22-,35-23-,36-24-,37-22-,38-21-,39-24-,40-23-; |
| InChIKey | JCYUYAQBYBIOBY-YNHFAQIQSA-N |
| Mol Weight | 996.8 g/mol |
| Molecular Formula | C48H52FeN4O16 |
| Exact Mass | 996.272768 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HsJd5RQZQEf |
|---|---|
| Name | Iron(II) Uroporphyrin I permethylester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H52FeN4O16 |
| InChI | InChI=1S/C48H52N4O16.Fe/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-34-27(11-15-43(55)63-3)31(19-47(59)67-7)39(51-34)24-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)23-35-26(10-14-42(54)62-2)30(18-46(58)66-6)38(50-35)21-33(25)49-37;/h21-24H,9-20H2,1-8H3;/q-2;+2/b33-21-,34-22-,35-23-,36-24-,37-22-,38-21-,39-24-,40-23-; |
| InChIKey | JCYUYAQBYBIOBY-YNHFAQIQSA-N |
| Molecular Weight | 996.801 g/mol |
| SMILES | C=12[N]=3[Fe]45N6C(=CC3C(=C2CC(=O)OC)CCC(=O)OC)C(=C(C6=CC2=[N]4C(C(CCC(=O)OC)=C2CC(=O)OC)=Cc2[n]5c(c(CCC(=O)OC)c2CC(=O)OC)C1)CCC(=O)OC)CC(=O)OC |
| SPLASH | splash10-0002-0000000009-54668c93edebbf297001 |
| Source of Spectrum | BS-4-20-0 |
| Synonyms | Methyl 3-[5,10,15,20-tetrakis(2-methoxy-2-oxoethyl)-9,14,19-tris(3-methoxy-3-oxopropyl)-2,22,23,25-tetraaza-1-ferraoctacyclo[11.9.1.1(1,8).1(3,21).0(2,6).0(16,23).0(18,22).0(11,25)]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaen-4-yl]propanoate |
| Wiley ID | 1418381 |