| SpectraBase Compound ID | tNmkyZUGxK |
|---|---|
| InChI | InChI=1S/C21H31FO3/c1-12(24)25-20-6-5-19-18-9-13(11-23)17-10-14(22)3-4-15(17)16(18)7-8-21(19,20)2/h13-14,16,18-20,23H,3-11H2,1-2H3 |
| InChIKey | IZTUBIXWHGNWPB-UHFFFAOYSA-N |
| Mol Weight | 350.47 g/mol |
| Molecular Formula | C21H31FO3 |
| Exact Mass | 350.225723 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 604nyOWyhAK |
|---|---|
| Name | Estr-5(10)-ene-6-methanol, 17-(acetyloxy)-3-fluoro-, (3.beta.,6.beta.,17.beta.)- |
| Alternate Name(s) | Estr-5(10)-ene-6.beta.-methanol, 3.alpha.-fluoro-17.beta.-hydroxy-, 17-acetate 3-Fluoro-6-(hydroxymethyl)estr-5(10)-en-17-yl acetate Acetic acid (3-fluoro-13-methyl-6-methylol-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) ester Estr-5(10)-ene-6.beta.-methanol, 3.beta.-fluoro-17.beta.-hydroxy-, 17-acetate Acetic acid [3-fluoro-6-(hydroxymethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester [3-fluoro-6-(hydroxymethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate |
| CAS Registry Number | 28344-74-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31FO3 |
| InChI | InChI=1S/C21H31FO3/c1-12(24)25-20-6-5-19-18-9-13(11-23)17-10-14(22)3-4-15(17)16(18)7-8-21(19,20)2/h13-14,16,18-20,23H,3-11H2,1-2H3 |
| InChIKey | IZTUBIXWHGNWPB-UHFFFAOYSA-N |
| Molecular Weight | 350.474 g/mol |
| SMILES | OCC1CC2C3C(C)(C(OC(C)=O)CC3)CCC2C2=C1CC(CC2)F |
| SPLASH | splash10-06rx-5942000000-c534e3bef4d6acbaacd6 |
| Source of Spectrum | O4-0-343-0 |
| Wiley ID | 1342119 |