| SpectraBase Compound ID | 4PXStcCJ6VI |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-14(23)18-8-9-19-17-7-6-15-13-16(24)5-4-11-21(15,2)20(17)10-12-22(18,19)3/h6,14,16-20,23-24H,4-5,7-13H2,1-3H3/t14-,16+,17?,18-,19?,20?,21+,22-/m1/s1 |
| InChIKey | YUALLNNLDSGGGH-SOJBBIKHSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C22H36O2 |
| Exact Mass | 332.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JJ4IUo8dn63 |
|---|---|
| Name | 4.Bete.,20.beta.-dihydroxy-A-homo-5-pregnene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.271530397 u |
| Formula | C22H36O2 |
| InChI | InChI=1S/C22H36O2/c1-14(23)18-8-9-19-17-7-6-15-13-16(24)5-4-11-21(15,2)20(17)10-12-22(18,19)3/h6,14,16-20,23-24H,4-5,7-13H2,1-3H3/t14-,16+,17?,18-,19?,20?,21+,22-/m1/s1 |
| InChIKey | YUALLNNLDSGGGH-SOJBBIKHSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | [C@]12(C(C3C([C@@]4(C(C[C@@](O)(CCC4)[H])=CC3)C)CC1)CC[C@@]2([C@](O)(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911569 |