| SpectraBase Spectrum ID |
522kGfk7XMn |
| Name |
Benzoic acid, 2,4-dihydroxy-6-(2-oxopentyl)-, 4-carboxy-3-hydroxy-5-propylphenyl ester |
| CAS Registry Number |
127743-54-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H24O8 |
| InChI |
InChI=1S/C22H24O8/c1-3-5-12-9-16(11-18(26)19(12)21(27)28)30-22(29)20-13(7-14(23)6-4-2)8-15(24)10-17(20)25/h8-11,24-26H,3-7H2,1-2H3,(H,27,28) |
| InChIKey |
NXXLFSOYYDAXLM-UHFFFAOYSA-N |
| Molecular Weight |
416.426 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2CC(=O)CCC)O)O)=O)cc(c1C(=O)O)CCC |
| SPLASH |
splash10-00di-2920000000-0ca46e6f0678a411ac69 |
| Source of Spectrum |
B-42-1981-5 |
| Synonyms |
2-Propyl-4-(6'-(propylcarbonylmethyl)-2',4'-dihydroxybenzoyloxy)-6-hydroxybenzoic acid
4-O-demethylloxodellic acid
4-{[2,4-dihydroxy-6-(2-oxopentyl)benzoyl]oxy}-2-hydroxy-6-propylbenzoic acid |
| Wiley ID |
1376312 |
