| SpectraBase Spectrum ID |
CiEgfXCFnJ0 |
| Name |
3-oxo-9-.beta.-Acetoxy-11(12)-en-7-.alpha.H-eudesmane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-10(2)13-8-14-11(3)15(19)6-7-17(14,5)16(9-13)20-12(4)18/h11,13-14,16H,1,6-9H2,2-5H3/t11-,13-,14+,16-,17-/m0/s1 |
| InChIKey |
AIWMFUBTWOXCQF-VKPHEEHNSA-N |
| Molecular Weight |
278.392 g/mol |
| SMILES |
[C@]12([C@](C[C@@](C[C@@]2(OC(=O)C)[H])(C(=C)C)[H])([C@](C)(C(CC1)=O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96506 |
