![Heptacyclo[32.2.2.2(3,6).2(16,19).2(21,24).1(9,13).1(27,31)]hexatetraconta[3,5,9,11,13(44),16,18,21,23,27,29,31(39),34,36,37,40,42,45]octadecaene](/api/spectrum/FJANqrVCEDX/structure.png?h=300&w=458 "Heptacyclo[32.2.2.2(3,6).2(16,19).2(21,24).1(9,13).1(27,31)]hexatetraconta[3,5,9,11,13(44),16,18,21,23,27,29,31(39),34,36,37,40,42,45]octadecaene")
| SpectraBase Compound ID | JD7QZDM3767 |
|---|---|
| InChI | InChI=1S/C46H44/c1-3-39-19-7-35-11-23-43(24-12-35)33-45-27-15-37(16-28-45)9-21-41-5-2-6-42(32-41)22-10-38-17-29-46(30-18-38)34-44-25-13-36(14-26-44)8-20-40(4-1)31-39/h1-6,11-18,23-32H,7-10,19-22,33-34H2 |
| InChIKey | ACUMZJHFJSBBHQ-UHFFFAOYSA-N |
| Mol Weight | 596.9 g/mol |
| Molecular Formula | C46H44 |
| Exact Mass | 596.344301 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FJANqrVCEDX |
|---|---|
| Name | Heptacyclo[32.2.2.2(3,6).2(16,19).2(21,24).1(9,13).1(27,31)]hexatetraconta[3,5,9,11,13(44),16,18,21,23,27,29,31(39),34,36,37,40,42,45]octadecaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H44 |
| InChI | InChI=1S/C46H44/c1-3-39-19-7-35-11-23-43(24-12-35)33-45-27-15-37(16-28-45)9-21-41-5-2-6-42(32-41)22-10-38-17-29-46(30-18-38)34-44-25-13-36(14-26-44)8-20-40(4-1)31-39/h1-6,11-18,23-32H,7-10,19-22,33-34H2 |
| InChIKey | ACUMZJHFJSBBHQ-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002_1521-3897(200009)342_7_642 |
| Molecular Weight | 596.858 g/mol |
| SMILES | c1c2cc(CCc3ccc(cc3)Cc3ccc(CCc4cc(ccc4)CCc4ccc(Cc5ccc(cc5)CC2)cc4)cc3)cc1 |
| SPLASH | splash10-0002-0100090000-d875475a43913798153e |
| Source of Spectrum | JF-342-652-3 |
| Wiley ID | 1767060 |