| SpectraBase Spectrum ID |
6C6t0sKdEnq |
| Name |
Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-propyl-, phenylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
520.209717982 u |
| Formula |
C30H32O8 |
| InChI |
InChI=1S/C30H32O8/c1-4-9-20-14-24(17-26(33)27(20)29(34)37-18-19-11-7-6-8-12-19)38-30(35)28-21(13-22(31)10-5-2)15-23(36-3)16-25(28)32/h6-8,11-12,14-17,32-33H,4-5,9-10,13,18H2,1-3H3 |
| InChIKey |
DQJKLDZYCVTIHE-UHFFFAOYSA-N |
| Molecular Weight |
520.578 g/mol |
| SMILES |
C1(C(OC=2C=C(O)C(=C(C2)CCC)C(OCC=2C=CC=CC2)=O)=O)=C(C=C(C=C1O)OC)CC(=O)CCC |
![Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-propyl-, phenylmethyl ester](/api/spectrum/6C6t0sKdEnq/structure.png?h=300&w=458 "Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-propyl-, phenylmethyl ester")
