| SpectraBase Compound ID | H5Juk7NnDyu |
|---|---|
| InChI | InChI=1S/C25H42O3/c1-19(13-17-28-23-9-5-6-16-27-23)12-15-25(4)20(2)10-11-21-22(25)8-7-14-24(21,3)18-26/h8,13,20-21,23,26H,5-7,9-12,14-18H2,1-4H3/b19-13+/t20-,21+,23?,24-,25+/m1/s1 |
| InChIKey | VWUHXYYIVADEJX-CQOKBXIXSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C25H42O3 |
| Exact Mass | 390.313395 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EfHGnfIkHKL |
|---|---|
| Name | 15-Tetrahydropyranyloxy-ent-halima-1(10),13-dien-18-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.313395209 u |
| Formula | C25H42O3 |
| InChI | InChI=1S/C25H42O3/c1-19(13-17-28-23-9-5-6-16-27-23)12-15-25(4)20(2)10-11-21-22(25)8-7-14-24(21,3)18-26/h8,13,20-21,23,26H,5-7,9-12,14-18H2,1-4H3/b19-13+/t20-,21+,23?,24-,25+/m1/s1 |
| InChIKey | VWUHXYYIVADEJX-CQOKBXIXSA-N |
| Molecular Weight | 390.608 g/mol |
| SMILES | C1=2[C@@](CC\C(=C\COC3OCCCC3)C)([C@](C)(CC[C@@]1([C@](CO)(C)CCC2)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952637 |