Methyl 4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]oxy}-3-methoxybenzoate
7715
Reference
Methyl 4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]oxy}-3-methoxybenzoate Structure
Systematic / IUPAC Name: Methyl 4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]oxy}-3-methoxybenzoate
ID: Reference7715
Other Names: Benzoic acid, 4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, methyl ester
Formula: C19H22O8
Spectral Data
Methyl 4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]oxy}-3-methoxybenzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/5/2018 2:18:11 PM |
Identificators
| InChI | InChI=1S/C19H22O8/c1-24-15-8-11(4-6-13(15)21)18(22)17(10-20)27-14-7-5-12(19(23)26-3)9-16(14)25-2/h4-9,17-18,20-22H,10H2,1-3H3 |
| InChI Key | OMXHMQVMAFLCRB-UHFFFAOYSA-N |
| Canonical SMILES | COc1cc(ccc1O)C(C(CO)Oc2ccc(cc2OC)C(=O)OC)O |
| CAS | |
| Splash | |
| Other Names | Benzoic acid, 4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, methyl ester |
In Other Databases
| ChemSpider | 32044381 |