| SpectraBase Compound ID | 2ylaZOpAeck |
|---|---|
| InChI | InChI=1S/C25H26F10O4/c1-20-9-7-13(38-19(37)23(28,29)30)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)39-18(36)22(26,27)24(31,32)25(33,34)35/h3,11,14-17H,4-10H2,1-2H3 |
| InChIKey | JEYCSCXDTOFLCH-UHFFFAOYSA-N |
| Mol Weight | 580.46 g/mol |
| Molecular Formula | C25H26F10O4 |
| Exact Mass | 580.167141 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 | 8ixgfNypmmp |
|---|---|
| Name | Androsta-3,5-diene-3,17-diol, 17-(heptafluorobutanoate) 3-(trifluoroacetate), (17.beta.)- |
| CAS Registry Number | 49842-27-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H26F10O4 |
| InChI | InChI=1S/C25H26F10O4/c1-20-9-7-13(38-19(37)23(28,29)30)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)39-18(36)22(26,27)24(31,32)25(33,34)35/h3,11,14-17H,4-10H2,1-2H3 |
| InChIKey | JEYCSCXDTOFLCH-UHFFFAOYSA-N |
| Molecular Weight | 580.463 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC4)CC=C2C=C(CC1)OC(C(F)(F)F)=O |
| SPLASH | splash10-001i-4920030000-05be5b40203cb1b110d7 |
| Source of Spectrum | W5-37656-27880-27880 |
| Synonyms | 3-[(2,2,2-Trifluoroacetyl)oxy]androsta-3,5-dien-17-yl 2,2,3,3,4,4,4-heptafluorobutanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid [10,13-dimethyl-3-(2,2,2-trifluoro-1-oxoethoxy)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester [10,13-dimethyl-3-(2,2,2-trifluoroacetyl)oxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,4-heptafluorobutanoate [10,13-dimethyl-3-[2,2,2-tris(fluoranyl)ethanoyloxy]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate |
| Wiley ID | 1408467 |