| SpectraBase Compound ID | FcX5BNFgIcj |
|---|---|
| InChI | InChI=1S/C22H34O2/c1-14(23)18-5-4-6-19-17-8-7-15-13-16(24)9-11-21(15,2)20(17)10-12-22(18,19)3/h7,16-20,24H,4-6,8-13H2,1-3H3/t16-,17?,18+,19?,20?,21-,22+/m0/s1 |
| InChIKey | QYEUOVDTPRIICA-URMUADPPSA-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 | EcuQNO5KZZy |
|---|---|
| Name | 3.beta.-Hydroxy-D-homopregn-5-en-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)18-5-4-6-19-17-8-7-15-13-16(24)9-11-21(15,2)20(17)10-12-22(18,19)3/h7,16-20,24H,4-6,8-13H2,1-3H3/t16-,17?,18+,19?,20?,21-,22+/m0/s1 |
| InChIKey | QYEUOVDTPRIICA-URMUADPPSA-N |
| Molecular Weight | 330.512 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](O)(C4)[H])C)CCC[C@@]1(C(=O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892641 |