| SpectraBase Spectrum ID |
DavDZYneqGH |
| Name |
(E)-3-(Acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8A-trimethyl-1,4,4A,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid, 2me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.251188873 u |
| Formula |
C24H36O6 |
| InChI |
InChI=1S/C24H36O6/c1-16(26)30-15-17(12-21(27)29-6)8-9-19-18(14-25)13-20(28-5)22-23(2,3)10-7-11-24(19,22)4/h12-14,19-20,22H,7-11,15H2,1-6H3/b17-12+ |
| InChIKey |
VTBNMBPJGSFBKR-SFQUDFHCSA-N |
| Molecular Weight |
420.546 g/mol |
| SMILES |
COC(=O)\C=C\(COC(C)=O)CCC1C2(C)C(C(C)(C)CCC2)C(OC)C=C1C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880569 |
