| SpectraBase Compound ID | 8MuopphrLK4 |
|---|---|
| InChI | InChI=1S/C33H50OS/c1-22(2)10-9-11-23(3)27-16-17-28-26-15-14-24-20-30(34)31(35-25-12-7-6-8-13-25)21-33(24,5)29(26)18-19-32(27,28)4/h6-8,12-13,22-24,26-29,31H,9-11,14-21H2,1-5H3 |
| InChIKey | VZXUEIMLVBWWTP-UHFFFAOYSA-N |
| Mol Weight | 494.8 g/mol |
| Molecular Formula | C33H50OS |
| Exact Mass | 494.358237 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FLd8kjc8MZQ |
|---|---|
| Name | 2-(Phenylsulfanyl)cholestan-3-one |
| CAS Registry Number | 63608-48-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H50OS |
| InChI | InChI=1S/C33H50OS/c1-22(2)10-9-11-23(3)27-16-17-28-26-15-14-24-20-30(34)31(35-25-12-7-6-8-13-25)21-33(24,5)29(26)18-19-32(27,28)4/h6-8,12-13,22-24,26-29,31H,9-11,14-21H2,1-5H3 |
| InChIKey | VZXUEIMLVBWWTP-UHFFFAOYSA-N |
| Molecular Weight | 494.822 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C3CCC4CC(C(CC4(C)C3CCC12C)Sc1ccccc1)=O |
| SPLASH | splash10-0007-2200900000-27016666432e2d5b7625 |
| Source of Spectrum | C-99-4409-0 |
| Synonyms | Cholestan-3-one, 2-(phenylthio)-, (5.alpha.)- 10,13-dimethyl-17-(6-methylheptan-2-yl)-2-(phenylthio)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 10,13-dimethyl-17-(6-methylheptan-2-yl)-2-phenylsulfanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 17-(1,5-dimethylhexyl)-10,13-dimethyl-2-(phenylthio)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 17-(1,5-dimethylhexyl)-10,13-dimethyl-2-phenylsulfanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1398002 |