5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

enlarge

Systematic / IUPAC Name: 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

ID: Reference8073

Other Names: 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-

Formula: C24H26O13

Spectral Data

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside 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 6/14/2018 11:57:51 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1
InChI Key NYTZRFVFIRTFIX-NPVWYNPDSA-N
Canonical SMILES COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)OC)O)OC)O
CAS
Splash
Other Names 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-

In Other Databases

ChemSpider 9752025
PubChem 11577257