| SpectraBase Compound ID | 39etLBpfVX8 |
|---|---|
| InChI | InChI=1S/C22H34O/c1-5-15-6-7-18-17-12-14(2)20-13-16(23)8-10-22(20,4)19(17)9-11-21(15,18)3/h5,16-20,23H,2,6-13H2,1,3-4H3/b15-5-/t16-,17-,18-,19-,20+,21+,22+/m0/s1 |
| InChIKey | DSWPBCSKGCTDCS-ZRFMLCMDSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C22H34O |
| Exact Mass | 314.260966 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GBpbHBItKRD |
|---|---|
| Name | 17-(Z)-Ethylidene-3.beta.-hydroxy-6-methylene-5.alpha.-androstane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.260965714 u |
| Formula | C22H34O |
| InChI | InChI=1S/C22H34O/c1-5-15-6-7-18-17-12-14(2)20-13-16(23)8-10-22(20,4)19(17)9-11-21(15,18)3/h5,16-20,23H,2,6-13H2,1,3-4H3/b15-5-/t16-,17-,18-,19-,20+,21+,22+/m0/s1 |
| InChIKey | DSWPBCSKGCTDCS-ZRFMLCMDSA-N |
| Molecular Weight | 314.513 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC\C([C@]4(CC3)C)=C\C)[H])([H])CC([C@]2(C[C@](CC1)(O)[H])[H])=C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939231 |