| SpectraBase Compound ID | C7Ic3rsNYIs |
|---|---|
| InChI | InChI=1S/C22H21F7O3/c1-19-9-8-14-13-5-3-12(32-18(31)20(23,24)21(25,26)22(27,28)29)10-11(13)2-4-15(14)16(19)6-7-17(19)30/h3,5,10,14-16H,2,4,6-9H2,1H3 |
| InChIKey | VPKYJRGMBQKKDH-UHFFFAOYSA-N |
| Mol Weight | 466.4 g/mol |
| Molecular Formula | C22H21F7O3 |
| Exact Mass | 466.137892 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IHDVzgUgSPN |
|---|---|
| Name | Estrone, heptafluorobutyrate |
| CAS Registry Number | 2192-60-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H21F7O3 |
| InChI | InChI=1S/C22H21F7O3/c1-19-9-8-14-13-5-3-12(32-18(31)20(23,24)21(25,26)22(27,28)29)10-11(13)2-4-15(14)16(19)6-7-17(19)30/h3,5,10,14-16H,2,4,6-9H2,1H3 |
| InChIKey | VPKYJRGMBQKKDH-UHFFFAOYSA-N |
| Molecular Weight | 466.396 g/mol |
| SMILES | CC12CCC3c4ccc(cc4CCC3C2CCC1=O)OC(C(C(C(F)(F)F)(F)F)(F)F)=O |
| SPLASH | splash10-066r-1201900000-6b057816c3aed22a2f56 |
| Source of Spectrum | AD-0-2743-0 |
| Synonyms | 17-Oxoestra-1,3,5(10)-trien-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate (13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 2,2,3,3,4,4,4-heptafluorobutanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) ester 2,2,3,3,4,4,4-heptafluorobutyric acid (17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) ester |
| Wiley ID | 1391883 |