| SpectraBase Spectrum ID |
GLLkHpbFSEU |
| Name |
(1R*,3E,7E,9R*,11R*,12R*)-9-Acetoxydolabella-3,7-dien-12-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.266445016 u |
| Formula |
C22H36O3 |
| InChI |
InChI=1S/C22H36O3/c1-15(2)22(24)13-12-21(6)11-10-16(3)8-7-9-17(4)19(14-20(21)22)25-18(5)23/h9-10,15,19-20,24H,7-8,11-14H2,1-6H3/b16-10+,17-9+/t19-,20-,21+,22-/m1/s1 |
| InChIKey |
LCCFAMBWEWEJKL-TUBDZVQBSA-N |
| Molecular Weight |
348.527 g/mol |
| SMILES |
[C@]12([C@@](CC[C@@]2(C\C=C\(CC\C=C\([C@@](C1)(OC(=O)C)[H])C)C)C)(C(C)C)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947536 |
