| SpectraBase Compound ID | 42xYJLoqHfw |
|---|---|
| InChI | InChI=1S/C27H41F3O4/c1-16(5-10-23(31)33-4)20-8-9-21-19-7-6-17-15-18(34-24(32)27(28,29)30)11-13-25(17,2)22(19)12-14-26(20,21)3/h16-22H,5-15H2,1-4H3 |
| InChIKey | ZAEQEUACUMHGKM-UHFFFAOYSA-N |
| Mol Weight | 486.6 g/mol |
| Molecular Formula | C27H41F3O4 |
| Exact Mass | 486.295694 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 | 1uDzF4zBVlb |
|---|---|
| Name | 5.beta.-Cholan-24-oic acid, 3.alpha.-hydroxy-, methyl ester, trifluoroacetate |
| CAS Registry Number | 3793-41-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41F3O4 |
| InChI | InChI=1S/C27H41F3O4/c1-16(5-10-23(31)33-4)20-8-9-21-19-7-6-17-15-18(34-24(32)27(28,29)30)11-13-25(17,2)22(19)12-14-26(20,21)3/h16-22H,5-15H2,1-4H3 |
| InChIKey | ZAEQEUACUMHGKM-UHFFFAOYSA-N |
| Molecular Weight | 486.616 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCC(OC)=O)C)CC4)CCC2CC(CC1)OC(C(F)(F)F)=O |
| SPLASH | splash10-066r-9523000000-bc747b3cd658b2423186 |
| Source of Spectrum | JZ-1992-2976-0 |
| Synonyms | Methyl 3-[(trifluoroacetyl)oxy]cholan-24-oate 4-[10,13-dimethyl-3-(2,2,2-trifluoro-1-oxoethoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester 4-[10,13-dimethyl-3-(2,2,2-trifluoroacetyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Cholan-24-oic acid, 3-[(trifluoroacetyl)oxy]-, methyl ester, (3.alpha.,5.beta.)- Methyl 4-[10,13-dimethyl-3-(2,2,2-trifluoroacetyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl 4-[10,13-dimethyl-3-[2,2,2-tris(fluoranyl)ethanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Wiley ID | 1396494 |