| SpectraBase Compound ID | 9AGlarQShZ8 |
|---|---|
| InChI | InChI=1S/C23H38O3/c1-4-5-6-7-15-14-16-17-8-9-19(24)22(17,2)12-10-18(16)23(3)13-11-20(25)26-21(15)23/h15-19,21,24H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,21-,22-,23+/m0/s1 |
| InChIKey | JLGAMVUZLWKETC-XRYXDNEWSA-N |
| Mol Weight | 362.6 g/mol |
| Molecular Formula | C23H38O3 |
| Exact Mass | 362.282095 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 69JukCmvH47 |
|---|---|
| Name | 17.beta.-Hydroxy-6.alpha.-pentyl-4-oxa-5.beta.-androstan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.282095081 u |
| Formula | C23H38O3 |
| InChI | InChI=1S/C23H38O3/c1-4-5-6-7-15-14-16-17-8-9-19(24)22(17,2)12-10-18(16)23(3)13-11-20(25)26-21(15)23/h15-19,21,24H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,21-,22-,23+/m0/s1 |
| InChIKey | JLGAMVUZLWKETC-XRYXDNEWSA-N |
| Molecular Weight | 362.554 g/mol |
| SMILES | C1(CC[C@]2([C@@](O1)([C@](C[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(O)[H])[H])C)[H])[H])(CCCCC)[H])[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949045 |