![18,20-Dimethyl-[15,23]-dithiahexacyclo[30.2.2.2(3,6).1(9,13).1(17,21).1(25,29)]untetraconta[3,5,9,11,13(39),17,19,21(38),25,27,29(37),32,34,35,40]pentadecaene](/api/spectrum/FgsMoLERFs9/structure.png?h=300&w=458 "18,20-Dimethyl-[15,23]-dithiahexacyclo[30.2.2.2(3,6).1(9,13).1(17,21).1(25,29)]untetraconta[3,5,9,11,13(39),17,19,21(38),25,27,29(37),32,34,35,40]pentadecaene")
| SpectraBase Compound ID | KyI3ZbswJe1 |
|---|---|
| InChI | InChI=1S/C41H42S2/c1-30-21-31(2)41-25-40(30)28-42-26-38-7-3-5-34(23-38)15-9-32-11-17-36(18-12-32)22-37-19-13-33(14-20-37)10-16-35-6-4-8-39(24-35)27-43-29-41/h3-8,11-14,17-21,23-25H,9-10,15-16,22,26-29H2,1-2H3 |
| InChIKey | DGHRFKAKBOCYCA-UHFFFAOYSA-N |
| Mol Weight | 598.9 g/mol |
| Molecular Formula | C41H42S2 |
| Exact Mass | 598.272794 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FgsMoLERFs9 |
|---|---|
| Name | 18,20-Dimethyl-[15,23]-dithiahexacyclo[30.2.2.2(3,6).1(9,13).1(17,21).1(25,29)]untetraconta[3,5,9,11,13(39),17,19,21(38),25,27,29(37),32,34,35,40]pentadecaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H42S2 |
| InChI | InChI=1S/C41H42S2/c1-30-21-31(2)41-25-40(30)28-42-26-38-7-3-5-34(23-38)15-9-32-11-17-36(18-12-32)22-37-19-13-33(14-20-37)10-16-35-6-4-8-39(24-35)27-43-29-41/h3-8,11-14,17-21,23-25H,9-10,15-16,22,26-29H2,1-2H3 |
| InChIKey | DGHRFKAKBOCYCA-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002_1521-3897(200009)342_7_642 |
| Molecular Weight | 598.907 g/mol |
| SMILES | C1Cc2ccc(cc2)Cc2ccc(cc2)CCc2cc(ccc2)CSCc2c(cc(c(CSCc3cccc1c3)c2)C)C |
| SPLASH | splash10-00lu-1900330000-9c20f292bfad0dd0ceb6 |
| Source of Spectrum | JF-342-651-32 |
| Wiley ID | 1767059 |