| SpectraBase Compound ID | FvBb3ZsNOTV |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h13-16,21H,3-12H2,1-2H3,(H,22,23)/t13-,14-,15?,16?,18-,19-,20+/m1/s1 |
| InChIKey | HHAMKMUMKLXDFQ-BBFWERPESA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5DK7tH3eaxt |
|---|---|
| Name | 17-Hydroxy-16.beta.-kauran-19-oic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.235144887 u |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h13-16,21H,3-12H2,1-2H3,(H,22,23)/t13-,14-,15?,16?,18-,19-,20+/m1/s1 |
| InChIKey | HHAMKMUMKLXDFQ-BBFWERPESA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | [C@@]123C([C@@]4(CCC[C@](C4CC3)(C(=O)O)C)C)CC[C@](C2)([C@](C1)(CO)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906653 |