| SpectraBase Compound ID | K1lQir5qPg8 |
|---|---|
| InChI | InChI=1S/C22H30O3/c1-4-21(23)25-20-10-9-19-18-7-5-14-13-15(24-3)6-8-16(14)17(18)11-12-22(19,20)2/h6,8,13,17-20H,4-5,7,9-12H2,1-3H3 |
| InChIKey | QKANPCUSZRHIDD-UHFFFAOYSA-N |
| Mol Weight | 342.48 g/mol |
| Molecular Formula | C22H30O3 |
| Exact Mass | 342.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | fWfRtpB2KG |
|---|---|
| Name | .beta.-Estradiol 17-propionate, methyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.219494823 u |
| Formula | C22H30O3 |
| InChI | InChI=1S/C22H30O3/c1-4-21(23)25-20-10-9-19-18-7-5-14-13-15(24-3)6-8-16(14)17(18)11-12-22(19,20)2/h6,8,13,17-20H,4-5,7,9-12H2,1-3H3 |
| InChIKey | QKANPCUSZRHIDD-UHFFFAOYSA-N |
| Molecular Weight | 342.479 g/mol |
| SMILES | C12=CC=C(C=C2CCC2C1CCC1(C2CCC1OC(=O)CC)C)OC |