![2-[3.beta.-Hydroxy-5,7,9-estratrien-17-yl]propionic acid](/api/spectrum/EXYKW7zWIOo/structure.png?h=300&w=458 "2-[3.beta.-Hydroxy-5,7,9-estratrien-17-yl]propionic acid")
| SpectraBase Compound ID | 1SeZajPCiWl |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-12(20(23)24)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-21(18,19)2/h3,5,12,14,18-19,22H,4,6-11H2,1-2H3,(H,23,24) |
| InChIKey | UWZBGUZORJHDBL-UHFFFAOYSA-N |
| Mol Weight | 328.45 g/mol |
| Molecular Formula | C21H28O3 |
| Exact Mass | 328.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXYKW7zWIOo |
|---|---|
| Name | 2-[3.beta.-Hydroxy-5,7,9-estratrien-17-yl]propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.203844759 u |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-12(20(23)24)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-21(18,19)2/h3,5,12,14,18-19,22H,4,6-11H2,1-2H3,(H,23,24) |
| InChIKey | UWZBGUZORJHDBL-UHFFFAOYSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | C1(CCC=2C(C1)=CC=C1C3C(CCC21)(C)C(C(C)C(O)=O)CC3)O |