| SpectraBase Spectrum ID |
6DPktLWAYMz |
| Name |
Acutilactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.323959893 u |
| Formula |
C25H44O4 |
| InChI |
InChI=1S/C25H44O4/c1-4-6-8-10-12-14-15-17-19-21-23-25(3,29-24(21)26)28-22(27-23)20-18-16-13-11-9-7-5-2/h19,22-23H,4-18,20H2,1-3H3/b21-19+/t22-,23+,25-/m0/s1 |
| InChIKey |
GFTJDZSXIJIXDB-VCWBDWOLSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
[C@@]12(\C(C(O[C@@]2(O[C@](O1)(CCCCCCCCC)[H])C)=O)=C/CCCCCCCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959741 |
