| SpectraBase Spectrum ID |
OtbjyofGCL |
| Name |
1,7-bis(3,4-Dihydroxyphenyl)heptan-3-yl acetate, 4ac derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
542.215197285 u |
| Formula |
C29H34O10 |
| InChI |
InChI=1S/C29H34O10/c1-18(30)35-25(13-10-24-12-15-27(37-20(3)32)29(17-24)39-22(5)34)9-7-6-8-23-11-14-26(36-19(2)31)28(16-23)38-21(4)33/h11-12,14-17,25H,6-10,13H2,1-5H3 |
| InChIKey |
KGMOWPQKZHYAGK-UHFFFAOYSA-N |
| Molecular Weight |
542.581 g/mol |
| SMILES |
C1(=C(C=CC(=C1)CCCCC(CCC1=CC=C(C(=C1)OC(=O)C)OC(C)=O)OC(=O)C)OC(C)=O)OC(C)=O |
