| SpectraBase Compound ID | GeSgVwGDFBF |
|---|---|
| InChI | InChI=1S/C39H56S2/c1-28(2)13-12-14-29(3)34-21-22-35-33-20-19-30-27-39(40-31-15-8-6-9-16-31,41-32-17-10-7-11-18-32)26-25-37(30,4)36(33)23-24-38(34,35)5/h6-11,15-18,28-30,33-36H,12-14,19-27H2,1-5H3 |
| InChIKey | JEYKKVAMFQIZAG-UHFFFAOYSA-N |
| Mol Weight | 589.0 g/mol |
| Molecular Formula | C39H56S2 |
| Exact Mass | 588.382344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HJaPqthIM1L |
|---|---|
| Name | 3,3-Bis(phenylsulfanyl)cholestane |
| CAS Registry Number | 111730-98-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H56S2 |
| InChI | InChI=1S/C39H56S2/c1-28(2)13-12-14-29(3)34-21-22-35-33-20-19-30-27-39(40-31-15-8-6-9-16-31,41-32-17-10-7-11-18-32)26-25-37(30,4)36(33)23-24-38(34,35)5/h6-11,15-18,28-30,33-36H,12-14,19-27H2,1-5H3 |
| InChIKey | JEYKKVAMFQIZAG-UHFFFAOYSA-N |
| Molecular Weight | 588.997 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)(Sc1ccccc1)Sc1ccccc1 |
| SPLASH | splash10-01t9-2801900000-c7602a965893ac860b23 |
| Source of Spectrum | F-43-2480-1 |
| Synonyms | 10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-bis(phenylsulfanyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene 10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-bis(phenylthio)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene 17-(1,5-dimethylhexyl)-10,13-dimethyl-3,3-bis(phenylsulfanyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene 17-(1,5-dimethylhexyl)-10,13-dimethyl-3,3-bis(phenylthio)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene 3,3-Bis(phenylthio)-5.alpha.-cholestane |
| Wiley ID | 1409228 |