Methyl 4-(6,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2,4-dimethoxybutanoate

enlarge

Systematic / IUPAC Name: Methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate

ID: Reference7613

Other Names: 1H-2-Benzopyran-7-butanoic acid, 6,8-dihydroxy-α,γ-dimethoxy-3-methyl-1-oxo-, methyl ester

Formula: C17H20O8

Spectral Data

Methyl 4-(6,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2,4-dimethoxybutanoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

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 3/22/2018 8:19:19 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H20O8/c1-8-5-9-6-10(18)14(15(19)13(9)17(21)25-8)11(22-2)7-12(23-3)16(20)24-4/h5-6,11-12,18-19H,7H2,1-4H3
InChI Key TWSUSRQZTZUYSD-UHFFFAOYSA-N
Canonical SMILES CC1=CC2=CC(=C(C(=C2C(=O)O1)O)C(CC(C(=O)OC)OC)OC)O
CAS
Splash
Other Names 1H-2-Benzopyran-7-butanoic acid, 6,8-dihydroxy-α,γ-dimethoxy-3-methyl-1-oxo-, methyl ester

In Other Databases

ChemSpider 22943193
PubChem 23874476