| SpectraBase Spectrum ID |
D0xFLPYoNic |
| Name |
Benzoic acid, 2,4-dihydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-6-propyl-, methyl ester |
| CAS Registry Number |
15081-04-6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26O8 |
| InChI |
InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(23)17(12)22(27)30-20-16(24)10-13(8-6-2)18(19(20)25)21(26)29-4/h9-11,23-25H,5-8H2,1-4H3 |
| InChIKey |
CFXORXZRGPTGFD-UHFFFAOYSA-N |
| Molecular Weight |
418.442 g/mol |
| SMILES |
Oc1c(C(Oc2c(c(c(cc2O)CCC)C(=O)OC)O)=O)c(cc(c1)OC)CCC |
| SPLASH |
splash10-0006-0900000000-44061230f6904ae7f78e |
| Source of Spectrum |
B-28-410-0 |
| Synonyms |
Scrobiculin
Benzoic acid, 2,3,4-trihydroxy-6-propyl-, methyl ester, 3-(2-hydroxy-6-propyl-p-anisate) |
| Wiley ID |
1377135 |
![Benzoic acid, 2,4-dihydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-6-propyl-, methyl ester](/api/spectrum/D0xFLPYoNic/structure.png?h=300&w=458 "Benzoic acid, 2,4-dihydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-6-propyl-, methyl ester")
