| SpectraBase Spectrum ID |
7BOibxHq166 |
| Name |
8-alpha,13-Epoxy-labdan-2-beta-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.271530397 u |
| Formula |
C20H36O2 |
| InChI |
InChI=1S/C20H36O2/c1-7-18(4)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)22-18/h14-16,21H,7-13H2,1-6H3/t14-,15+,16-,18+,19+,20-/m1/s1 |
| InChIKey |
PWBAGWDYXDSYAP-FCZHJMSUSA-N |
| Molecular Weight |
308.506 g/mol |
| SMILES |
[C@]12(O[C@](CC[C@@]2([C@@]2([C@](C(C)(C)C[C@](C2)(O)[H])(CC1)[H])C)[H])(CC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835188 |
