FL4DACNN0001

Revision as of 09:00, 25 July 2008

Silybin

Structural Information
Systematic Name	(2R) -2alpha- [ [ (2R,3R) -2,3-Dihydro-3beta- (4-hydroxy-3-methoxyphenyl) -2alpha- (hydroxymethyl) -1,4-benzodioxin ] -6-yl ] -2,3-dihydro-3beta,5,7-trihydroxy-4H-1-benzopyran-4-one
Common Name	Silybin (2R) -2alpha- [ [ (2R,3R) -2,3-Dihydro-3beta- (4-hydroxy-3-methoxyphenyl) -2alpha- (hydroxymethyl) -1,4-benzodioxin ] -6-yl ] -2,3-dihydro-3beta,5,7-trihydroxy-4H-1-benzopyran-4-one
Symbol
Formula	C25H22O10
Exact Mass	482.121296924
Average Mass	482.43618000000004
SMILES	`O([C@]([H])(c(c5)cc(O3)c(c5)O[C@](CO)([C@]3(c(c4)cc(c(c4)O)OC)[H])[H])2)c(c(C(=O)[C@]2([H])O)1)cc(O)cc1O`
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species-Flavonoid Relationship Reported

Species	ID	Metabolite Name	Reference
Silybum marianum	FL4DACNN0001	See above.	Szilagyi_I et al. 1978

@@ Line 1: / Line 1: @@
 {{Metabolite
-|SysName=(2R)-2alpha-[[(2R,3R)-2,3-Dihydro-3beta-(4-hydroxy-3-methoxyphenyl)-2alpha-(hydroxymethyl)-1,4-benzodioxin]-6-yl]-2,3-dihydro-3beta,5,7-trihydroxy-4H-1-benzopyran-4-one
+|SysName= (2R) -2alpha- [ [ (2R,3R) -2,3-Dihydro-3beta- (4-hydroxy-3-methoxyphenyl) -2alpha- (hydroxymethyl) -1,4-benzodioxin ] -6-yl ] -2,3-dihydro-3beta,5,7-trihydroxy-4H-1-benzopyran-4-one
-|Common Name=&&Silybin&&(2R)-2alpha-[[(2R,3R)-2,3-Dihydro-3beta-(4-hydroxy-3-methoxyphenyl)-2alpha-(hydroxymethyl)-1,4-benzodioxin]-6-yl]-2,3-dihydro-3beta,5,7-trihydroxy-4H-1-benzopyran-4-one&&
+|Common Name=&&Silybin&& (2R) -2alpha- [ [ (2R,3R) -2,3-Dihydro-3beta- (4-hydroxy-3-methoxyphenyl) -2alpha- (hydroxymethyl) -1,4-benzodioxin ] -6-yl ] -2,3-dihydro-3beta,5,7-trihydroxy-4H-1-benzopyran-4-one&&
 |CAS=22888-70-6
 |KNApSAcK=C00001003
 }}