| SpectraBase Compound ID | KACMjuwkAhj |
|---|---|
| InChI | InChI=1S/C25H29F7O3/c1-13(33)17-6-7-18-16-5-4-14-12-15(8-10-21(14,2)19(16)9-11-22(17,18)3)35-20(34)23(26,27)24(28,29)25(30,31)32/h4,12,16-19H,5-11H2,1-3H3 |
| InChIKey | PMYGGDFCIVGWIF-UHFFFAOYSA-N |
| Mol Weight | 510.49 g/mol |
| Molecular Formula | C25H29F7O3 |
| Exact Mass | 510.200492 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2qtx6LkZV8v |
|---|---|
| Name | Pregna-3,5-dien-20-one, 3-hydroxy-, heptafluorobutyrate |
| CAS Registry Number | 18072-21-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H29F7O3 |
| InChI | InChI=1S/C25H29F7O3/c1-13(33)17-6-7-18-16-5-4-14-12-15(8-10-21(14,2)19(16)9-11-22(17,18)3)35-20(34)23(26,27)24(28,29)25(30,31)32/h4,12,16-19H,5-11H2,1-3H3 |
| InChIKey | PMYGGDFCIVGWIF-UHFFFAOYSA-N |
| Molecular Weight | 510.493 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(=CC3)C=C(CC2)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCC1C(C)=O |
| SPLASH | splash10-03xr-3901020000-6661922eed476fc4f51a |
| Source of Spectrum | AD-0-2744-0 |
| Synonyms | 20-Oxopregna-3,5-dien-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate (17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) 2,2,3,3,4,4,4-heptafluorobutanoate (17-ethanoyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid (17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) ester 2,2,3,3,4,4,4-heptafluorobutyric acid (17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) ester Progesterone enol heptafluorobutyrate |
| Wiley ID | 63309 |