| SpectraBase Compound ID | HQf39Om3Gc5 |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22)5-3-15-13-16(23)7-10-21(15,19)2/h14-15,17-19,22H,3-13H2,1-2H3/t14-,15-,17+,18+,19+,20-,21+/m1/s1 |
| InChIKey | HBXIVWIDGFQMNM-PLQYQNEZSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ApzqSi53z6i |
|---|---|
| Name | 5-.beta.-Pregnan-21-ol-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.255880333 u |
| Formula | C21H34O2 |
| InChI | InChI=1S/C21H34O2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22)5-3-15-13-16(23)7-10-21(15,19)2/h14-15,17-19,22H,3-13H2,1-2H3/t14-,15-,17+,18+,19+,20-,21+/m1/s1 |
| InChIKey | HBXIVWIDGFQMNM-PLQYQNEZSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C1(CC[C@]2([C@@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(CCO)[H])[H])C)[H])[H])[H])C)=O |