![[15,28]-Dithiaheptacyclo[35.3.1.1(2,6).1(9,13).1(17,21).1(22,26).1(30,34)]hexatetraconta[1(40),2,4,6(46), 9,11,13(45),17,19,21(44),22,24,26(43)30,32,34(42),37,39]octadecaene](/api/spectrum/2bVds8L8B5i/structure.png?h=300&w=458 "[15,28]-Dithiaheptacyclo[35.3.1.1(2,6).1(9,13).1(17,21).1(22,26).1(30,34)]hexatetraconta[1(40),2,4,6(46), 9,11,13(45),17,19,21(44),22,24,26(43)30,32,34(42),37,39]octadecaene")
| SpectraBase Compound ID | GO1au5C1Zft |
|---|---|
| InChI | InChI=1S/C44H40S2/c1-7-33-19-21-35-9-3-15-41(25-35)42-16-4-10-36(26-42)22-20-34-8-2-12-38(24-34)30-46-32-40-14-6-18-44(28-40)43-17-5-13-39(27-43)31-45-29-37(11-1)23-33/h1-18,23-28H,19-22,29-32H2 |
| InChIKey | FJNQMQDDHJXGNV-UHFFFAOYSA-N |
| Mol Weight | 632.9 g/mol |
| Molecular Formula | C44H40S2 |
| Exact Mass | 632.257144 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2bVds8L8B5i |
|---|---|
| Name | [15,28]-Dithiaheptacyclo[35.3.1.1(2,6).1(9,13).1(17,21).1(22,26).1(30,34)]hexatetraconta[1(40),2,4,6(46), 9,11,13(45),17,19,21(44),22,24,26(43)30,32,34(42),37,39]octadecaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H40S2 |
| InChI | InChI=1S/C44H40S2/c1-7-33-19-21-35-9-3-15-41(25-35)42-16-4-10-36(26-42)22-20-34-8-2-12-38(24-34)30-46-32-40-14-6-18-44(28-40)43-17-5-13-39(27-43)31-45-29-37(11-1)23-33/h1-18,23-28H,19-22,29-32H2 |
| InChIKey | FJNQMQDDHJXGNV-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002_1521-3897(200009)342_7_642 |
| Molecular Weight | 632.924 g/mol |
| SMILES | c1ccc2-c3cccc(CCc4cc(ccc4)CSCc4cc(ccc4)-c4cccc(CSCc5cc(CCc1c2)ccc5)c4)c3 |
| SPLASH | splash10-001i-0411309000-0eaafe74f82169701e01 |
| Source of Spectrum | JF-342-650-30 |
| Wiley ID | 1767057 |