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Home Other Building Blocks Petunidin 3-O-β-glucopyranoside chloride

Petunidin 3-O-β-glucopyranoside chloride

CAS No.:
6988-81-4
Catalog Number:
AG00FDG7
Molecular Formula:
C22H23ClO12
Molecular Weight:
514.8638
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$265
- +
5mg
≥98%
1 week
United States
$533
- +
Product Description
Catalog Number:
AG00FDG7
Chemical Name:
Petunidin 3-O-β-glucopyranoside chloride
CAS Number:
6988-81-4
Molecular Formula:
C22H23ClO12
Molecular Weight:
514.8638
MDL Number:
MFCD01762898
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
InChI:
InChI=1S/C22H22O12.ClH/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22;/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27);1H/t16-,18-,19+,20-,22-;/m1./s1
InChI Key:
HBKZHMZCXXQMOX-YATQZQGFSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(O)c(c(c2)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O.[Cl-]
UNII:
AA9G36JBHT
Properties
Complexity:
668  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
514.088g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
514.864g/mol
Monoisotopic Mass:
514.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Neuroprotective effects of black soybean anthocyanins via inactivation of ASK1-JNK/p38 pathways and mobilization of cellular sialic acids. Life sciences 20120606
HPLC-DAD-ESI-MS analysis of flavonoid compounds in 5 seedless table grapes grown in Apulian Region. Journal of food science 20120201
Optimization of the extraction of anthocyanins from the fruit skin of Rhodomyrtus tomentosa (Ait.) Hassk and identification of anthocyanins in the extract using High-Performance Liquid Chromatography-Electrospray Ionization-Mass Spectrometry (HPLC-ESI-MS). International journal of molecular sciences 20120101
Induction of apoptosis and inhibition of invasion in human hepatoma cells by anthocyanins from meoru. Annals of the New York Academy of Sciences 20090801
Antioxidant activity of anthocyanins and their aglycons. Journal of agricultural and food chemistry 20030129
Synergistic antioxidant effect of catechin and malvidin 3-glucoside on free radical-initiated peroxidation of linoleic acid in micelles. Archives of biochemistry and biophysics 20021215
Enzymatic synthesis of [3'-O-methyl-(3)H]malvidin-3-glucoside from petunidin-3-glucoside. Journal of agricultural and food chemistry 20020410
Properties