| SpectraBase Compound ID | 2tax3DZ7Ezr |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-19,23-24H,5-11H2,1-3H3 |
| InChIKey | ZAKJZPQDUPCXSD-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZfrPtyGXFu |
|---|---|
| Name | 16.alpha.-Hydroxypregnenolone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-19,23-24H,5-11H2,1-3H3 |
| InChIKey | ZAKJZPQDUPCXSD-UHFFFAOYSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | C1(O)C(C(=O)C)C2(C(C3C(CC2)C2(C(CC(O)CC2)=CC3)C)C1)C |