| SpectraBase Compound ID | 35WH7vNfF1 |
|---|---|
| InChI | InChI=1S/C29H49NS/c1-19(2)8-7-9-20(3)23-12-13-25-22-10-11-24-21(4)27(31-18-30)15-17-29(24,6)26(22)14-16-28(23,25)5/h19-27H,7-17H2,1-6H3 |
| InChIKey | FQOFGTATMUBUFN-UHFFFAOYSA-N |
| Mol Weight | 443.8 g/mol |
| Molecular Formula | C29H49NS |
| Exact Mass | 443.358572 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D3B9dwoN9k1 |
|---|---|
| Name | Thiocyanic acid, 4.alpha.-methyl-5.alpha.-cholestan-3.beta.-yl ester |
| Alternate Name(s) | Thiocyanic acid, 4.alpha.-methyl-5.alpha.-cholestan-3.alpha.-yl ester 4-Methylcholestan-3-yl thiocyanate thiocyanic acid [4,10,13-trimethyl-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)-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] thiocyanate [4,10,13-trimethyl-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 |
| CAS Registry Number | 20997-69-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H49NS |
| InChI | InChI=1S/C29H49NS/c1-19(2)8-7-9-20(3)23-12-13-25-22-10-11-24-21(4)27(31-18-30)15-17-29(24,6)26(22)14-16-28(23,25)5/h19-27H,7-17H2,1-6H3 |
| InChIKey | FQOFGTATMUBUFN-UHFFFAOYSA-N |
| Molecular Weight | 443.778 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2C(C)C(CC1)SC#N |
| SPLASH | splash10-000f-9761200000-382fb86e104fb1d93369 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 60279 |