Comprehensive Medicinal Plant Database

Compound data

Compound namebaicalin(バイカリン)
AliasBaicalein 7-glucuronide, 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-Glucopyranosiduronic Acid
Structure
baicalin.mol
Molecular formulaC21H18O11
Molecular weight446.364
IUPAC(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy​-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
CAS21967-41-9
Other DB
CHEBI2981
CHEMPDB
KEGGC10025
NIKKAJIJ94.473D
PUBCHEMSID:12211
Reference
NMR data list 
TypeMachine name
1H-NMR日本電子　ECS400
13C-NMRJEOL　ECA600
1H-NMRJEOL　ECA600
(LC/GC)MS data list 
Serial Number（LC/GC name）LC/GC dataMS data
NIB-0001LC(ESI-Q-TOF(+))MS
NIB-0001LC(ESI-Q-TOF(-))MS
NIB-0002LC(ESI-Q-TOF(+))MS
NIB-0035LC(ESI-Q-TOF(+))MS
NIB-0036LC(ESI-Q-TOF(+))MS
NIB-0057LC(ESI-Q-TOF(+))MS
NIB-0059LC(ESI-Q-TOF(+))MS
NIB-0073LC(ESI-Q-TOF(+))MS
NIB-0089LC(ESI-Q-TOF(+))MS
NIB-0105LC(ESI-Q-TOF(+))MS
NIB-0106LC(ESI-Q-TOF(+))MS
NIB-0142LC(ESI-Q-TOF(+))MS
NIB-0145LC(ESI-Q-TOF(+))MS
NIB-0167LC(ESI-Q-TOF(-))MS
NIB-0167LC(ESI-Q-TOF(+))MS
NIB-0174LC(ESI-Q-TOF(+))MS
NIB-0175LC(ESI-Q-TOF(+))MS
NIB-0002LC(ESI-Q-TOF(-))MS
NIB-0035LC(ESI-Q-TOF(-))MS
NIB-0036LC(ESI-Q-TOF(-))MS
NIB-0057LC(ESI-Q-TOF(-))MS
NIB-0059LC(ESI-Q-TOF(-))MS
NIB-0073LC(ESI-Q-TOF(-))MS
NIB-0089LC(ESI-Q-TOF(-))MS
NIB-0105LC(ESI-Q-TOF(-))MS
NIB-0106LC(ESI-Q-TOF(-))MS
NIB-0142LC(ESI-Q-TOF(-))MS
NIB-0145LC(ESI-Q-TOF(-))MS
NIB-0174LC(ESI-Q-TOF(-))MS
NIB-0175LC(ESI-Q-TOF(-))MS
Crude drug(s) include this compound SCUTELLARIAE RADIX