| SpectraBase Compound ID | HoHpgMjfGkb |
|---|---|
| InChI | InChI=1S/C33H48S6/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-26-27(18-33(21,5)25(22)13-14-32(23,24)4)37-30(36-26)31-38-28-29(39-31)35-16-15-34-28/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,32-,33+/m1/s1 |
| InChIKey | PNPALXCGXKCJJH-POWFQDBQSA-N |
| Mol Weight | 637.1 g/mol |
| Molecular Formula | C33H48S6 |
| Exact Mass | 636.208029 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LYlwxuKz6ez |
|---|---|
| Name | (2,3-Cholestano)(ethylenedithio)tetrathiafulvalene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H48S6 |
| InChI | InChI=1S/C33H48S6/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-26-27(18-33(21,5)25(22)13-14-32(23,24)4)37-30(36-26)31-38-28-29(39-31)35-16-15-34-28/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,32-,33+/m1/s1 |
| InChIKey | PNPALXCGXKCJJH-POWFQDBQSA-N |
| Molecular Weight | 637.107 g/mol |
| SMILES | C1(=C2SC=3C[C@@]4([C@@]5([C@@]([C@@]6(CC[C@@]([C@]6(CC5)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]4(CC3S2)[H])[H])C)SC=2SCCSC2S1 |
| SPLASH | splash10-014i-0900000000-a6ed9960d3a2bb17ba39 |
| Source of Spectrum | J-62-6818-19 |
| Synonyms | (1R,3aS,3bR,5aS,10aS,10bS,12aR)-8-(5,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dithiole |
| Wiley ID | 1412379 |