| SpectraBase Compound ID | CHSa32vGO9c |
|---|---|
| InChI | InChI=1S/C22H31FO4/c1-12(24)26-20-10-17-16(15-7-6-14(23)9-18(15)20)11-21(27-13(2)25)22(3)8-4-5-19(17)22/h14,16-17,19-21H,4-11H2,1-3H3 |
| InChIKey | WYKMIUAVQIIRAD-UHFFFAOYSA-N |
| Mol Weight | 378.48 g/mol |
| Molecular Formula | C22H31FO4 |
| Exact Mass | 378.220638 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AfQE48an8qv |
|---|---|
| Name | Estr-5(10)-ene-6,12-diol, 3-fluoro-, diacetate, (3.beta.,6.beta.,12.beta.)- |
| CAS Registry Number | 56890-09-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H31FO4 |
| InChI | InChI=1S/C22H31FO4/c1-12(24)26-20-10-17-16(15-7-6-14(23)9-18(15)20)11-21(27-13(2)25)22(3)8-4-5-19(17)22/h14,16-17,19-21H,4-11H2,1-3H3 |
| InChIKey | WYKMIUAVQIIRAD-UHFFFAOYSA-N |
| Molecular Weight | 378.484 g/mol |
| SMILES | CC12C(C3C(CC2OC(C)=O)C2=C(C(C3)OC(C)=O)CC(CC2)F)CCC1 |
| SPLASH | splash10-066u-8922000000-8922cecd02f6064d8e40 |
| Source of Spectrum | O4-0-343-0 |
| Synonyms | 12-(Acetyloxy)-3-fluoroestr-5(10)-en-6-yl acetate (12-acetoxy-3-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl) acetate (12-acetyloxy-3-fluoranyl-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl) ethanoate (12-acetyloxy-3-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl) acetate Acetic acid (12-acetoxy-3-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl) ester Acetic acid (12-acetyloxy-3-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl) ester |
| Wiley ID | 1358863 |