| SpectraBase Spectrum ID |
8ZFoVrVCzEv |
| Name |
(14S)-8,13;14,15-Diepoxylabdane-7-beta-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.250794952 u |
| Formula |
C20H34O3 |
| InChI |
InChI=1S/C20H34O3/c1-17(2)8-6-9-18(3)13-7-10-19(4,16-12-22-16)23-20(13,5)15(21)11-14(17)18/h13-16,21H,6-12H2,1-5H3/t13-,14+,15+,16+,18-,19-,20+/m1/s1 |
| InChIKey |
PYZXQJNHQKDRES-IHAQYFQTSA-N |
| Molecular Weight |
322.489 g/mol |
| SMILES |
[C@]12(O[C@](CC[C@@]2([C@]2(CCCC([C@@]2(C[C@@]1(O)[H])[H])(C)C)C)[H])([C@]1(OC1)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881842 |
