| SpectraBase Compound ID | 73GcWKe4KNy |
|---|---|
| InChI | InChI=1S/C22H34O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20,23H,4-11,13H2,1-3H3/t14-,17+,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey | ZNWOYQVXPIEQRC-HOFZUOGSSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C22H34O2 |
| Exact Mass | 330.25588 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HggCXqCAwoS |
|---|---|
| Name | 22-Hydroxy-23,24-bisnorchol-4-en-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.255880333 u |
| Formula | C22H34O2 |
| InChI | InChI=1S/C22H34O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20,23H,4-11,13H2,1-3H3/t14-,17+,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey | ZNWOYQVXPIEQRC-HOFZUOGSSA-N |
| Molecular Weight | 330.512 g/mol |
| SMILES | C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])([C@@](CO)(C)[H])[H])C)[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908279 |