| SpectraBase Compound ID | 4zvDIvrcmCb |
|---|---|
| InChI | InChI=1S/C22H34O2/c1-14(23)18-8-9-19-17-7-5-15-4-6-16(24)10-12-21(15,2)20(17)11-13-22(18,19)3/h5,16-20,24H,4,6-13H2,1-3H3/t16-,17?,18-,19?,20?,21+,22-/m1/s1 |
| InChIKey | ZXKKAGKIVMJTOF-NDEMSMLWSA-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 | Cx5c3U02SDk |
|---|---|
| Name | 3.beta.-Hydroxy-A-homo-5-pregnen-20-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(23)18-8-9-19-17-7-5-15-4-6-16(24)10-12-21(15,2)20(17)11-13-22(18,19)3/h5,16-20,24H,4,6-13H2,1-3H3/t16-,17?,18-,19?,20?,21+,22-/m1/s1 |
| InChIKey | ZXKKAGKIVMJTOF-NDEMSMLWSA-N |
| Molecular Weight | 330.512 g/mol |
| SMILES | [C@]12(C(C3C([C@@]4(C(CC[C@](CC4)(O)[H])=CC3)C)CC1)CC[C@@]2(C(=O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934849 |