![Cholest-2-ene, 4,4-dimethyl-3-[(phenylmethyl)thio]-, (5.alpha.)-](/api/spectrum/GYpScHMd6AL/structure.png?h=300&w=458 "Cholest-2-ene, 4,4-dimethyl-3-[(phenylmethyl)thio]-, (5.alpha.)-")
| SpectraBase Compound ID | 1KElGbvyanW |
|---|---|
| InChI | InChI=1S/C36H56S/c1-25(2)12-11-13-26(3)29-17-18-30-28-16-19-32-34(4,5)33(37-24-27-14-9-8-10-15-27)21-23-36(32,7)31(28)20-22-35(29,30)6/h8-10,14-15,21,25-26,28-32H,11-13,16-20,22-24H2,1-7H3 |
| InChIKey | YZQCTXIXGIGKOD-UHFFFAOYSA-N |
| Mol Weight | 520.9 g/mol |
| Molecular Formula | C36H56S |
| Exact Mass | 520.410273 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GYpScHMd6AL |
|---|---|
| Name | Cholest-2-ene, 4,4-dimethyl-3-[(phenylmethyl)thio]-, (5.alpha.)- |
| Alternate Name(s) | 3-(Benzylsulfanyl)-4,4-dimethylcholest-2-ene 3-(benzylthio)-17-(1,5-dimethylhexyl)-4,4,10,13-tetramethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene 3-Benzylsulfanyl-17-(1,5-dimethylhexyl)-4,4,10,13-tetramethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene 3-Benzylsulfanyl-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene 4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-3-(phenylmethylsulfanyl)-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene 4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-3-(phenylmethylthio)-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene |
| CAS Registry Number | 69841-47-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H56S |
| InChI | InChI=1S/C36H56S/c1-25(2)12-11-13-26(3)29-17-18-30-28-16-19-32-34(4,5)33(37-24-27-14-9-8-10-15-27)21-23-36(32,7)31(28)20-22-35(29,30)6/h8-10,14-15,21,25-26,28-32H,11-13,16-20,22-24H2,1-7H3 |
| InChIKey | YZQCTXIXGIGKOD-UHFFFAOYSA-N |
| Molecular Weight | 520.904 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C3CCC4C(C)(C)C(=CCC4(C)C3CCC12C)SCc1ccccc1 |
| SPLASH | splash10-00di-2001090000-d3ce7027555dde89d97e |
| Source of Spectrum | C-101-1017-0 |
| Wiley ID | 1402079 |