| SpectraBase Spectrum ID |
6LSn6irnnln |
| Name |
[(6E,10Z)-10-(Acetyloxymethyl)-6-formyl-3-methylidene-2-oxo-3A,4,5,8,9,11A-hexahydrocyclodeca[B]furan-4-yl] 2-methylbutanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.183503235 u |
| Formula |
C22H28O7 |
| InChI |
InChI=1S/C22H28O7/c1-5-13(2)21(25)28-18-9-16(11-23)7-6-8-17(12-27-15(4)24)10-19-20(18)14(3)22(26)29-19/h7,10-11,13,18-20H,3,5-6,8-9,12H2,1-2,4H3/b16-7+,17-10- |
| InChIKey |
ALJXWCROGAMOBL-PMFZVJTOSA-N |
| Molecular Weight |
404.459 g/mol |
| SMILES |
C1C\C(=C\C2C(C(C\C(=C/1)C=O)OC(C(CC)C)=O)C(=C)C(O2)=O)COC(C)=O |
![[(6E,10Z)-10-(Acetyloxymethyl)-6-formyl-3-methylidene-2-oxo-3A,4,5,8,9,11A-hexahydrocyclodeca[B]furan-4-yl] 2-methylbutanoate](/api/spectrum/6LSn6irnnln/structure.png?h=300&w=458 "[(6E,10Z)-10-(Acetyloxymethyl)-6-formyl-3-methylidene-2-oxo-3A,4,5,8,9,11A-hexahydrocyclodeca[B]furan-4-yl] 2-methylbutanoate")
