| SpectraBase Compound ID | JfblZQW8BA5 |
|---|---|
| InChI | InChI=1S/C22H37NO3/c1-13(23-26-4)16-5-6-17-15-12-20(25)19-11-14(24)7-9-22(19,3)18(15)8-10-21(16,17)2/h14-20,24-25H,5-12H2,1-4H3/b23-13-/t14-,15+,16-,17+,18+,19+,20+,21-,22-/m1/s1 |
| InChIKey | YEXLNBRTDYBNDG-RSWPDLROSA-N |
| Mol Weight | 363.5 g/mol |
| Molecular Formula | C22H37NO3 |
| Exact Mass | 363.277344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | h33yZEEyRQ |
|---|---|
| Name | 5.beta.-Pregnane-3.alpha.,6.alpha.-diol-20-one-o-methyloxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.277344052 u |
| Formula | C22H37NO3 |
| InChI | InChI=1S/C22H37NO3/c1-13(23-26-4)16-5-6-17-15-12-20(25)19-11-14(24)7-9-22(19,3)18(15)8-10-21(16,17)2/h14-20,24-25H,5-12H2,1-4H3/b23-13-/t14-,15+,16-,17+,18+,19+,20+,21-,22-/m1/s1 |
| InChIKey | YEXLNBRTDYBNDG-RSWPDLROSA-N |
| Molecular Weight | 363.542 g/mol |
| SMILES | [C@@]1(CC[C@]2([C@@](C1)([C@](C[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(\C(C)=N/OC)[H])[H])C)[H])[H])(O)[H])[H])C)(O)[H] |