| SpectraBase Compound ID | 2fg6Zz32HAU |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-6-19(4)8-7-15-14(12-19)16(22)9-17-18(2,3)10-13(21)11-20(15,17)5/h6,12-13,15,17,21H,1,7-11H2,2-5H3/t13-,15-,17?,19-,20+/m0/s1 |
| InChIKey | DOYIFPWFLYRUJU-LRCRSPMASA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HNgCty7WCu7 |
|---|---|
| Name | Isopimara-8(14),15-diene-2.alpha.,18-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-6-19(4)8-7-15-14(12-19)16(22)9-17-18(2,3)10-13(21)11-20(15,17)5/h6,12-13,15,17,21H,1,7-11H2,2-5H3/t13-,15-,17?,19-,20+/m0/s1 |
| InChIKey | DOYIFPWFLYRUJU-LRCRSPMASA-N |
| SMILES | [C@]12([C@@]3(C(=C[C@](CC3)(C=C)C)C(CC1C(C)(C)C[C@@](C2)(O)[H])=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931195 |