| SpectraBase Compound ID | 8VpOl6mvzl6 |
|---|---|
| InChI | InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-6,11,17-18,20H,7-10H2,1-2H3 |
| InChIKey | SWFUNVLLZDCANO-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C19H22O2 |
| Exact Mass | 282.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wziE2521c0 |
|---|---|
| Name | 3-Methoxy-17.beta.-hydroxy-cis-estra-1,3,5(10),6,8-pentaene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.161979946 u |
| Formula | C19H22O2 |
| InChI | InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-6,11,17-18,20H,7-10H2,1-2H3 |
| InChIKey | SWFUNVLLZDCANO-UHFFFAOYSA-N |
| SMILES | C1(=CC=C2C(=C1)C=CC1=C2CCC2(C1CCC2O)C)OC |