| SpectraBase Compound ID | 8Uw9kNIVJF9 |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-17(12-15-26)8-10-19-18(2)9-11-21-24(5)14-7-13-23(3,4)22(24)20(27)16-25(19,21)6/h12,19-22,26-27H,2,7-11,13-16H2,1,3-6H3/b17-12-/t19-,20+,21?,22?,24-,25+/m1/s1 |
| InChIKey | WJTRDGPQMBTDGG-ZNICROLTSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C25H42O2 |
| Exact Mass | 374.318481 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AJ0jqUd7t8X |
|---|---|
| Name | (17Z)-Cheilantha-13(24),17-dien-6.alpha.,19-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.318480590 u |
| Formula | C25H42O2 |
| InChI | InChI=1S/C25H42O2/c1-17(12-15-26)8-10-19-18(2)9-11-21-24(5)14-7-13-23(3,4)22(24)20(27)16-25(19,21)6/h12,19-22,26-27H,2,7-11,13-16H2,1,3-6H3/b17-12-/t19-,20+,21?,22?,24-,25+/m1/s1 |
| InChIKey | WJTRDGPQMBTDGG-ZNICROLTSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | [C@]12(C([C@]3(CCCC(C3[C@](C2)(O)[H])(C)C)C)CCC([C@]1(CC\C(=C/CO)C)[H])=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881491 |