| SpectraBase Compound ID | 3yPA5osNAnL |
|---|---|
| InChI | InChI=1S/C23H30O3/c1-23-12-11-18-17-8-6-16(26-22-4-2-3-13-25-22)14-15(17)5-7-19(18)20(23)9-10-21(23)24/h6,8,14,18-20,22H,2-5,7,9-13H2,1H3/t18?,19?,20?,22?,23-/m0/s1 |
| InChIKey | QOSNUXWKMAFZHA-PSWFRXAUSA-N |
| Mol Weight | 354.49 g/mol |
| Molecular Formula | C23H30O3 |
| Exact Mass | 354.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rTzppfVmHG |
|---|---|
| Name | 3-(Tetrahydropyran-2-yloxy)estra-1,3,5(10)-trien-17-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.219494823 u |
| Formula | C23H30O3 |
| InChI | InChI=1S/C23H30O3/c1-23-12-11-18-17-8-6-16(26-22-4-2-3-13-25-22)14-15(17)5-7-19(18)20(23)9-10-21(23)24/h6,8,14,18-20,22H,2-5,7,9-13H2,1H3/t18?,19?,20?,22?,23-/m0/s1 |
| InChIKey | QOSNUXWKMAFZHA-PSWFRXAUSA-N |
| Molecular Weight | 354.490 g/mol |
| SMILES | [C@@]12(C(C3CCC4=C(C3CC2)C=CC(OC2OCCCC2)=C4)CCC1=O)C |