| SpectraBase Spectrum ID |
ECDkVQvbqA1 |
| Name |
[7-(3,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate, 3ac derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.209717982 u |
| Formula |
C27H32O8 |
| InChI |
InChI=1S/C27H32O8/c1-18(28)32-24(13-9-22-10-14-25(15-11-22)33-19(2)29)8-6-5-7-23-12-16-26(34-20(3)30)27(17-23)35-21(4)31/h10-12,14-17,24H,5-9,13H2,1-4H3 |
| InChIKey |
JFQHQEWJFUGYFF-UHFFFAOYSA-N |
| Molecular Weight |
484.545 g/mol |
| SMILES |
C1(=C(C=CC(=C1)CCCCC(CCC1=CC=C(C=C1)OC(C)=O)OC(=O)C)OC(C)=O)OC(C)=O |
![[7-(3,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate, 3ac derivative](/api/spectrum/ECDkVQvbqA1/structure.png?h=300&w=458 "[7-(3,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate, 3ac derivative")
