| SpectraBase Compound ID | LCTcXRwN1Zy |
|---|---|
| InChI | InChI=1S/C20H26O/c1-13-4-9-19-18-7-5-14-12-15(21-3)6-8-16(14)17(18)10-11-20(13,19)2/h6,8,12,17-19H,1,4-5,7,9-11H2,2-3H3/t17-,18-,19+,20-/m1/s1 |
| InChIKey | APWQGXSRKGAGES-YSTOQKLRSA-N |
| Mol Weight | 282.43 g/mol |
| Molecular Formula | C20H26O |
| Exact Mass | 282.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ZOM7NmJXgq |
|---|---|
| Name | 3-Methoxy-17-methyleneestra-1,3,5(10)-triene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.198365456 u |
| Formula | C20H26O |
| InChI | InChI=1S/C20H26O/c1-13-4-9-19-18-7-5-14-12-15(21-3)6-8-16(14)17(18)10-11-20(13,19)2/h6,8,12,17-19H,1,4-5,7,9-11H2,2-3H3/t17-,18-,19+,20-/m1/s1 |
| InChIKey | APWQGXSRKGAGES-YSTOQKLRSA-N |
| Molecular Weight | 282.427 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4=C([C@]3(CC2)[H])C=CC(OC)=C4)[H])(CCC1=C)[H])C |