![[15,27]-Dithiaheptacyclo[34.2.2.2(3,6).2(17,20).2(22,25).19,13.1(29,33)]octatetraconta[3,5,9,11,13(46),17,19,22,24,29,31,33(41),36,38,39,42,44,47]octadecaene](/api/spectrum/IyajVKTmy/structure.png?h=300&w=458 "[15,27]-Dithiaheptacyclo[34.2.2.2(3,6).2(17,20).2(22,25).19,13.1(29,33)]octatetraconta[3,5,9,11,13(46),17,19,22,24,29,31,33(41),36,38,39,42,44,47]octadecaene")
| SpectraBase Compound ID | GZgWZSv3dCj |
|---|---|
| InChI | InChI=1S/C46H44S2/c1-3-37-13-7-35-9-15-39(16-10-35)27-40-17-11-36(12-18-40)8-14-38-4-2-6-46(30-38)34-48-32-44-25-21-42(22-26-44)28-41-19-23-43(24-20-41)31-47-33-45(5-1)29-37/h1-6,9-12,15-26,29-30H,7-8,13-14,27-28,31-34H2 |
| InChIKey | PJYLXLGUPYVVED-UHFFFAOYSA-N |
| Mol Weight | 661.0 g/mol |
| Molecular Formula | C46H44S2 |
| Exact Mass | 660.288444 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IyajVKTmy |
|---|---|
| Name | [15,27]-Dithiaheptacyclo[34.2.2.2(3,6).2(17,20).2(22,25).19,13.1(29,33)]octatetraconta[3,5,9,11,13(46),17,19,22,24,29,31,33(41),36,38,39,42,44,47]octadecaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H44S2 |
| InChI | InChI=1S/C46H44S2/c1-3-37-13-7-35-9-15-39(16-10-35)27-40-17-11-36(12-18-40)8-14-38-4-2-6-46(30-38)34-48-32-44-25-21-42(22-26-44)28-41-19-23-43(24-20-41)31-47-33-45(5-1)29-37/h1-6,9-12,15-26,29-30H,7-8,13-14,27-28,31-34H2 |
| InChIKey | PJYLXLGUPYVVED-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002_1521-3897(200009)342_7_642 |
| Molecular Weight | 660.978 g/mol |
| SMILES | c1c2CCc3ccc(cc3)Cc3ccc(cc3)CCc3cc(CSCc4ccc(Cc5ccc(cc5)CSCc(cc1)c2)cc4)ccc3 |
| SPLASH | splash10-03ec-0810908000-2e8a15c04c6d88e99189 |
| Source of Spectrum | JF-342-650-29 |
| Wiley ID | 1767056 |