| SpectraBase Compound ID | 1BxIYebPUJH |
|---|---|
| InChI | InChI=1S/C25H26ClF9O4/c1-20-9-7-13(38-19(37)23(26,29)30)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)39-18(36)22(27,28)24(31,32)25(33,34)35/h3,11,14-17H,4-10H2,1-2H3 |
| InChIKey | FLYNDDZUHKKDOE-UHFFFAOYSA-N |
| Mol Weight | 596.92 g/mol |
| Molecular Formula | C25H26ClF9O4 |
| Exact Mass | 596.13759 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 | AUgmTjFtKDD |
|---|---|
| Name | Androsta-3,5-diene-3,17-diol, 3-(chlorodifluoroacetate) 17-(heptafluorobutanoate), (17.beta.)- |
| CAS Registry Number | 49842-33-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H26ClF9O4 |
| InChI | InChI=1S/C25H26ClF9O4/c1-20-9-7-13(38-19(37)23(26,29)30)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)39-18(36)22(27,28)24(31,32)25(33,34)35/h3,11,14-17H,4-10H2,1-2H3 |
| InChIKey | FLYNDDZUHKKDOE-UHFFFAOYSA-N |
| Molecular Weight | 596.918 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(Cl)(F)F)=O |
| SPLASH | splash10-0002-4920150000-aaf7780f98b687042dd2 |
| Source of Spectrum | W5-37805-27731-27731 |
| Synonyms | 3-[(2-Chloro-2,2-difluoroacetyl)oxy]androsta-3,5-dien-17-yl 2,2,3,3,4,4,4-heptafluorobutanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid [3-(2-chloro-2,2-difluoro-1-oxoethoxy)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester [3-(2-chloro-2,2-difluoroacetyl)oxy-10,13-dimethyl-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 [3-(2-chloro-2,2-difluoro-acetyl)oxy-10,13-dimethyl-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 [3-[2-chloranyl-2,2-bis(fluoranyl)ethanoyl]oxy-10,13-dimethyl-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 | 1409792 |