| SpectraBase Spectrum ID |
649WGch9Z33 |
| Name |
Benzoic acid, 2,4-dihydroxy-6-methyl-, 4-carboxy-3-heptyl-5-hydroxyphenyl ester |
| CAS Registry Number |
90332-31-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26O7 |
| InChI |
InChI=1S/C22H26O7/c1-3-4-5-6-7-8-14-10-16(12-18(25)20(14)21(26)27)29-22(28)19-13(2)9-15(23)11-17(19)24/h9-12,23-25H,3-8H2,1-2H3,(H,26,27) |
| InChIKey |
ROLBJWWAILRAHU-UHFFFAOYSA-N |
| Molecular Weight |
402.443 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2C)O)O)=O)cc(c1C(=O)O)CCCCCCC |
| SPLASH |
splash10-00di-0900000000-68760a3c8ad0e146cbe5 |
| Source of Spectrum |
B-40-428-2 |
| Synonyms |
4-(2',4'-Dihydroxy-6'-methylbenzoyloxy)-2-heptyl-6-hydroxybenzoic acid 4-O-demethylsphaerophorin
4-O-demethylsphaerophorin
4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-heptyl-6-hydroxybenzoic acid |
| Wiley ID |
1370368 |
