| SpectraBase Compound ID | L2UTACFfCpV |
|---|---|
| InChI | InChI=1S/C29H47F3O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(34-26(33)29(30,31)32)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3 |
| InChIKey | SWSZINXTWIQMPA-UHFFFAOYSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C29H47F3O2 |
| Exact Mass | 484.352815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | TOM5I6DLZk |
|---|---|
| Name | 5.alpha.-Cholestan-3.beta.-ol, trifluoroacetate |
| Alternate Name(s) | Acetic acid, trifluoro-, 5.alpha.-cholestan-3.beta.-yl ester Cholestan-3-ol, trifluoroacetate, (3.beta.,5.alpha.)- Cholestan-3-yl trifluoroacetate Cholestanol O-trifluoroacetate Cholestanol trifluoroacetate 2,2,2-trifluoroacetic 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 [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] 2,2,2-trifluoroacetate [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] 2,2,2-trifluoroacetate [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] 2,2,2-tris(fluoranyl)ethanoate |
| CAS Registry Number | 2839-20-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47F3O2 |
| InChI | InChI=1S/C29H47F3O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(34-26(33)29(30,31)32)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3 |
| InChIKey | SWSZINXTWIQMPA-UHFFFAOYSA-N |
| Molecular Weight | 484.688 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC1C2CCC2C1(CCC(C2)OC(=O)C(F)(F)F)C)C |
| SPLASH | splash10-0560-9613100000-bb0c006fca6a181b974f |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 62416 |