| SpectraBase Spectrum ID |
3m5moua39kk |
| Name |
Benzoic acid, 2-hydroxy-4-methoxy-6-(2-oxoheptyl)-, 4-carboxy-3-methoxy-5-pentylphenyl ester |
| CAS Registry Number |
52213-25-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36O8 |
| InChI |
InChI=1S/C28H36O8/c1-5-7-9-11-18-14-22(17-24(35-4)26(18)27(31)32)36-28(33)25-19(13-20(29)12-10-8-6-2)15-21(34-3)16-23(25)30/h14-17,30H,5-13H2,1-4H3,(H,31,32) |
| InChIKey |
UANVCGQMNRTKGM-UHFFFAOYSA-N |
| Molecular Weight |
500.588 g/mol |
| SMILES |
Oc1c(C(Oc2cc(c(C(=O)O)c(c2)CCCCC)OC)=O)c(cc(c1)OC)CC(CCCCC)=O |
| SPLASH |
splash10-03di-0960000000-c382fd475d538dbe986d |
| Source of Spectrum |
E1-42-1206-1 |
| Synonyms |
2-Amyl-4-[2-hydroxy-6-(2-ketoheptyl)-4-methoxy-benzoyl]oxy-6-methoxy-benzoic acid
2-Methoxy-4-[4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-6-pentyl-benzoic acid
4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)phenyl]-oxomethoxy]-2-methoxy-6-pentylbenzoic acid
Confluentic acid
4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-2-methoxy-6-pentylbenzoic acid |
| Wiley ID |
1552685 |
