| SpectraBase Compound ID | LtgoI2lb9Db |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1 |
| InChIKey | GBYPMNXBNFQGAV-GCOKGBOCSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sA3T32YH3y |
|---|---|
| Name | 12(alpha)-Hydroxyprogesterone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.219494823 u |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1 |
| InChIKey | GBYPMNXBNFQGAV-GCOKGBOCSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | C1(CC[C@]2(C(=C1)CC[C@@]1([C@@]2(C[C@](O)([C@]2([C@]1(CC[C@@]2(C(C)=O)[H])[H])C)[H])[H])[H])C)=O |