| SpectraBase Compound ID | 2vvK9cAc0oA |
|---|---|
| InChI | InChI=1S/C25H46O3/c1-17(11-15-26)8-9-20-24(5)16-18(27)21-22(2,3)12-7-13-23(21,4)19(24)10-14-25(20,6)28/h17-21,26-28H,7-16H2,1-6H3/t17?,18-,19?,20-,21?,23+,24+,25-/m0/s1 |
| InChIKey | QSVGHAXTXJYGPG-XKMBNSNBSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C25H46O3 |
| Exact Mass | 394.344695 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GmPsas2EKJs |
|---|---|
| Name | Cheilanthane-6,13,19-triol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.344695338 u |
| Formula | C25H46O3 |
| InChI | InChI=1S/C25H46O3/c1-17(11-15-26)8-9-20-24(5)16-18(27)21-22(2,3)12-7-13-23(21,4)19(24)10-14-25(20,6)28/h17-21,26-28H,7-16H2,1-6H3/t17?,18-,19?,20-,21?,23+,24+,25-/m0/s1 |
| InChIKey | QSVGHAXTXJYGPG-XKMBNSNBSA-N |
| Molecular Weight | 394.640 g/mol |
| SMILES | [C@]12(C([C@]3(CCCC(C3[C@](C2)(O)[H])(C)C)C)CC[C@@]([C@]1(CCC(CCO)C)[H])(O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81641 |