| SpectraBase Compound ID | LEDFSqbOdvk |
|---|---|
| InChI | InChI=1S/C20H22O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h6-9,12,18H,3-5,10-11H2,1-2H3 |
| InChIKey | WALWDOCUZFNZRX-UHFFFAOYSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C20H22O2 |
| Exact Mass | 294.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXXLVfwy9gp |
|---|---|
| Name | 3-Methoxy-D-homoestra-1,3,5(10),6,8-pentaen-17A-one, (14.alpha.) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.161979946 u |
| Formula | C20H22O2 |
| InChI | InChI=1S/C20H22O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h6-9,12,18H,3-5,10-11H2,1-2H3 |
| InChIKey | WALWDOCUZFNZRX-UHFFFAOYSA-N |
| SMILES | C1(=CC=C2C(=C1)C=CC1=C2CCC2(C1CCCC2=O)C)OC |