| SpectraBase Compound ID | 1OqagIllqw3 |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-12-19-18(25-20(12)24)11-17-15-5-4-13-10-14(23)6-8-21(13,2)16(15)7-9-22(17,19)3/h4,12,14-20,23-24H,5-11H2,1-3H3/t12-,14-,15?,16?,17?,18?,19?,20-,21?,22?/m0/s1 |
| InChIKey | HXMFKZPMXMHVDH-KUQGHGPMSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CaLi3kZnZ5I |
|---|---|
| Name | 16.beta.,22-Epoxy-23,24-dinor-chol-5-ene-3.beta.,.22.beta.-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.250794952 u |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-12-19-18(25-20(12)24)11-17-15-5-4-13-10-14(23)6-8-21(13,2)16(15)7-9-22(17,19)3/h4,12,14-20,23-24H,5-11H2,1-3H3/t12-,14-,15?,16?,17?,18?,19?,20-,21?,22?/m0/s1 |
| InChIKey | HXMFKZPMXMHVDH-KUQGHGPMSA-N |
| Molecular Weight | 346.511 g/mol |
| SMILES | C12(C(C3CC=C4C(C3CC2)(CC[C@](O)(C4)[H])C)CC2C1[C@@]([C@@](O)(O2)[H])(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916707 |