| SpectraBase Compound ID | 4XWXgMnxOiE |
|---|---|
| InChI | InChI=1S/C22H32O3/c1-14(24)18-6-7-19-17-5-4-15-12-16(25-13-23)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,13,16-20H,5-12H2,1-3H3 |
| InChIKey | PMKWQPYDHKLDTD-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C22H32O3 |
| Exact Mass | 344.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76UeqrSdcMF |
|---|---|
| Name | 5-Pregnen-3.beta.-ol-20-one, formate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.235144887 u |
| Formula | C22H32O3 |
| InChI | InChI=1S/C22H32O3/c1-14(24)18-6-7-19-17-5-4-15-12-16(25-13-23)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,13,16-20H,5-12H2,1-3H3 |
| InChIKey | PMKWQPYDHKLDTD-UHFFFAOYSA-N |
| Molecular Weight | 344.495 g/mol |
| SMILES | C12(C(=CCC3C2CCC2(C(C(C)=O)CCC32)C)CC(CC1)OC=O)C |