| SpectraBase Compound ID | JcWO8ZhPf7q |
|---|---|
| InChI | InChI=1S/C29H50OS2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(30-27(31)32-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h19-26H,7-18H2,1-6H3 |
| InChIKey | ABWRTQKOKFBTFA-UHFFFAOYSA-N |
| Mol Weight | 478.8 g/mol |
| Molecular Formula | C29H50OS2 |
| Exact Mass | 478.330309 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FDrRadT3UQA |
|---|---|
| Name | Cholestan-3-ol, methyl carbonodithioate, (3.beta.,5.alpha.)- |
| CAS Registry Number | 5211-17-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50OS2 |
| InChI | InChI=1S/C29H50OS2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(30-27(31)32-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h19-26H,7-18H2,1-6H3 |
| InChIKey | ABWRTQKOKFBTFA-UHFFFAOYSA-N |
| Molecular Weight | 478.838 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2CC(CC1)OC(SC)=S |
| SPLASH | splash10-0ac0-9512000000-8da81f8978c71487ae90 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | o-Cholestan-3-yl S-methyl dithiocarbonate (methylthio)methanethioic acid O-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester O-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methylsulfanylmethanethioate O-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methylsulfanylmethanethioate |
| Wiley ID | 1394858 |