| SpectraBase Spectrum ID |
Aokcb9km4Fg |
| Name |
.beta.-Resorcylic acid, 6-(2-oxoheptyl)-, 4-ester with methyl 6-pentyl-.beta.-resorcylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.225368047 u |
| Formula |
C27H34O8 |
| InChI |
InChI=1S/C27H34O8/c1-4-6-8-10-17-14-21(16-23(31)24(17)26(32)34-3)35-27(33)25-18(13-20(29)15-22(25)30)12-19(28)11-9-7-5-2/h13-16,29-31H,4-12H2,1-3H3 |
| InChIKey |
LZLMZXJSGNQSHG-UHFFFAOYSA-N |
| Molecular Weight |
486.561 g/mol |
| SMILES |
C1(C(OC2=CC(O)=C(C(=C2)CCCCC)C(=O)OC)=O)=C(C=C(C=C1O)O)CC(=O)CCCCC |
