| SpectraBase Spectrum ID |
aFLQ3Wwl6 |
| Name |
Benzoic acid, 2-hydroxy-4-methoxy-6-(2-oxoheptyl)-, 4-carboxy-3-methoxy-5-(2-oxoheptyl)phenyl ester |
| CAS Registry Number |
79579-62-7 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H38O9 |
| InChI |
InChI=1S/C30H38O9/c1-5-7-9-11-21(31)13-19-15-23(37-3)17-25(33)27(19)30(36)39-24-16-20(14-22(32)12-10-8-6-2)28(29(34)35)26(18-24)38-4/h15-18,33H,5-14H2,1-4H3,(H,34,35) |
| InChIKey |
IEXUUTBAKJZBHY-UHFFFAOYSA-N |
| Molecular Weight |
542.625 g/mol |
| SMILES |
OC(c1c(cc(OC(c2c(cc(cc2CC(=O)CCCCC)OC)O)=O)cc1CC(=O)CCCCC)OC)=O |
| SPLASH |
splash10-01w4-9440000000-fc4b50b4aa4671b909ce |
| Source of Spectrum |
B-34-1510-0 |
| Synonyms |
2'-O-methylmicrophyllinic acid
4-{[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-2-methoxy-6-(2-oxoheptyl)benzoic acid |
| Wiley ID |
1404859 |
