| SpectraBase Compound ID | Gp3nee67VkK |
|---|---|
| InChI | InChI=1S/C28H47NS/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h19-26H,6-17H2,1-5H3 |
| InChIKey | POSVXFDQEWXLGQ-UHFFFAOYSA-N |
| Mol Weight | 429.8 g/mol |
| Molecular Formula | C28H47NS |
| Exact Mass | 429.342922 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HO0mGA70hNk |
|---|---|
| Name | Cholestane, 3-thiocyanato-, (3.alpha.,5.alpha.)- |
| CAS Registry Number | 20997-50-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H47NS |
| InChI | InChI=1S/C28H47NS/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h19-26H,6-17H2,1-5H3 |
| InChIKey | POSVXFDQEWXLGQ-UHFFFAOYSA-N |
| Molecular Weight | 429.751 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(CC3)CC(CC2)SC#N)CCC1C(CCCC(C)C)C |
| SPLASH | splash10-052f-9320100000-4dbe9f38158b73487bc6 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Thiocyanic acid, 5.alpha.-cholestan-3.beta.-yl ester Cholestan-3-yl thiocyanate Thiocyanic acid, 5.alpha.-cholestan-3.alpha.-yl ester thiocyanic acid [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 [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] thiocyanate [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] thiocyanate |
| Wiley ID | 1381267 |