| SpectraBase Spectrum ID |
ExbOlDVhZDg |
| Name |
Benzoic acid, 4-[(3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester |
| Alternate Name(s) |
3-Hydroxyumbilicaric acid
4-({4-[(3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoyl}oxy)-2-hydroxy-6-methylbenzoic acid |
| CAS Registry Number |
124281-21-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H22O11 |
| InChI |
InChI=1S/C25H22O11/c1-10-5-13(8-15(26)18(10)23(30)31)35-24(32)19-11(2)6-14(9-16(19)27)36-25(33)20-12(3)7-17(28)21(29)22(20)34-4/h5-9,26-29H,1-4H3,(H,30,31) |
| InChIKey |
RQKDGHVMCPZAIX-UHFFFAOYSA-N |
| Molecular Weight |
498.440 g/mol |
| SMILES |
Oc1cc(cc(c1C(Oc1cc(c(C(=O)O)c(c1)O)C)=O)C)OC(c1c(c(O)c(cc1C)O)OC)=O |
| SPLASH |
splash10-0ue9-0900000000-39494017ce512bf6b54a |
| Source of Spectrum |
B-42-769-4 |
| Wiley ID |
1398514 |
![Benzoic acid, 4-[(3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester](/api/spectrum/ExbOlDVhZDg/structure.png?h=300&w=458 "Benzoic acid, 4-[(3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester")
