| SpectraBase Spectrum ID |
JWD1n5rfPp8 |
| Name |
4-[2'-Hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
570.282882923 u |
| Formula |
C32H42O9 |
| InChI |
InChI=1S/C32H42O9/c1-5-7-9-10-12-14-24(34)15-21-17-25(39-3)19-27(35)29(21)32(38)41-26-18-22(16-23(33)13-11-8-6-2)30(31(36)37)28(20-26)40-4/h17-20,35H,5-16H2,1-4H3,(H,36,37) |
| InChIKey |
SOMXMLWJHVJGSI-UHFFFAOYSA-N |
| Molecular Weight |
570.679 g/mol |
| SMILES |
C1(C(OC=2C=C(OC)C(=C(C2)CC(=O)CCCCC)C(=O)O)=O)=C(C=C(C=C1O)OC)CC(=O)CCCCCCC |
![4-[2'-Hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoic acid](/api/spectrum/JWD1n5rfPp8/structure.png?h=300&w=458 "4-[2'-Hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoic acid")
