| SpectraBase Compound ID | 646UYHV2w5s |
|---|---|
| InChI | InChI=1S/C18H23FO3/c1-17-6-5-13-12(14(17)9-15(21)16(17)22)3-2-10-8-11(20)4-7-18(10,13)19/h4,7-8,12-16,21-22H,2-3,5-6,9H2,1H3/t12-,13+,14+,15-,16+,17+,18-/m1/s1 |
| InChIKey | KQUDFRNCNNOUEA-QTTZJVNNSA-N |
| Mol Weight | 306.38 g/mol |
| Molecular Formula | C18H23FO3 |
| Exact Mass | 306.163123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6johd2AHLnA |
|---|---|
| Name | 10.beta.-Fluoro-3-oxo-1,4-estradien-16.alpha.,17.beta.-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.163122761 u |
| Formula | C18H23FO3 |
| InChI | InChI=1S/C18H23FO3/c1-17-6-5-13-12(14(17)9-15(21)16(17)22)3-2-10-8-11(20)4-7-18(10,13)19/h4,7-8,12-16,21-22H,2-3,5-6,9H2,1H3/t12-,13+,14+,15-,16+,17+,18-/m1/s1 |
| InChIKey | KQUDFRNCNNOUEA-QTTZJVNNSA-N |
| Molecular Weight | 306.377 g/mol |
| SMILES | [C@@]12(C(=CC(C=C2)=O)CC[C@]2([C@@]3(C[C@@](O)([C@@]([C@]3(CC[C@]12[H])C)(O)[H])[H])[H])[H])F |