![Heptacyclo[33.3.1.1(2,6).1(9,13).1(16,20).1(21,25).1(28,32)]tetratetraconta[1(39),2,4,6(44),9,11,13(43),16,18,20(42),21,23,25(41),28,30,32(40),35,37]octadecaene](/api/spectrum/FDxZ4WS4azK/structure.png?h=300&w=458 "Heptacyclo[33.3.1.1(2,6).1(9,13).1(16,20).1(21,25).1(28,32)]tetratetraconta[1(39),2,4,6(44),9,11,13(43),16,18,20(42),21,23,25(41),28,30,32(40),35,37]octadecaene")
| SpectraBase Compound ID | 6ry83jz1ISv |
|---|---|
| InChI | InChI=1S/C44H40/c1-7-33-19-23-37-11-3-15-41(29-37)43-17-5-13-39(31-43)25-21-35-9-2-10-36(28-35)22-26-40-14-6-18-44(32-40)42-16-4-12-38(30-42)24-20-34(8-1)27-33/h1-18,27-32H,19-26H2 |
| InChIKey | OSRCTEBSNQLGAJ-UHFFFAOYSA-N |
| Mol Weight | 568.8 g/mol |
| Molecular Formula | C44H40 |
| Exact Mass | 568.313001 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FDxZ4WS4azK |
|---|---|
| Name | Heptacyclo[33.3.1.1(2,6).1(9,13).1(16,20).1(21,25).1(28,32)]tetratetraconta[1(39),2,4,6(44),9,11,13(43),16,18,20(42),21,23,25(41),28,30,32(40),35,37]octadecaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H40 |
| InChI | InChI=1S/C44H40/c1-7-33-19-23-37-11-3-15-41(29-37)43-17-5-13-39(31-43)25-21-35-9-2-10-36(28-35)22-26-40-14-6-18-44(32-40)42-16-4-12-38(30-42)24-20-34(8-1)27-33/h1-18,27-32H,19-26H2 |
| InChIKey | OSRCTEBSNQLGAJ-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002_1521-3897(200009)342_7_642 |
| Molecular Weight | 568.804 g/mol |
| SMILES | c1ccc2-c3cccc(CCc4cc(ccc4)CCc4cc(ccc4)-c4cccc(CCc5cccc(c5)CCc1c2)c4)c3 |
| SPLASH | splash10-014i-0100090000-4f472d9926e6e5d3b6b8 |
| Source of Spectrum | JF-342-652-4 |
| Wiley ID | 1767061 |