| SpectraBase Compound ID | 2hFFVm87Y7e |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-4-13-5-6-16-15-11-18-21(23-18)12-14(22)7-10-20(21,3)17(15)8-9-19(13,16)2/h13-18,22H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,18-,19+,20+,21-/m0/s1 |
| InChIKey | QVARGDILUJYXSO-UXXFREBZSA-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 | 80XpaYI2bms |
|---|---|
| Name | 5.alpha.,6.alpha.-Epoxypregnan-3.beta.-ol |
| 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/c1-4-13-5-6-16-15-11-18-21(23-18)12-14(22)7-10-20(21,3)17(15)8-9-19(13,16)2/h13-18,22H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,18-,19+,20+,21-/m0/s1 |
| InChIKey | QVARGDILUJYXSO-UXXFREBZSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | [C@]123O[C@]3(C[C@@]3([C@@]([C@]1(CC[C@@](C2)(O)[H])C)(CC[C@@]1([C@@](CC)(CC[C@@]31[H])[H])C)[H])[H])[H] |