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Home Other Building Blocks PELARGONIDIN-3-GLUCOSIDE CHLORIDE

PELARGONIDIN-3-GLUCOSIDE CHLORIDE

CAS No.:
18466-51-8
Catalog Number:
AG00AQ7J
Molecular Formula:
C21H21ClO10
Molecular Weight:
468.8384
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Product Description
Catalog Number:
AG00AQ7J
Chemical Name:
PELARGONIDIN-3-GLUCOSIDE CHLORIDE
CAS Number:
18466-51-8
Molecular Formula:
C21H21ClO10
Molecular Weight:
468.8384
MDL Number:
MFCD00017578
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
InChI:
InChI=1S/C21H20O10.ClH/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);1H/t16-,17-,18+,19-,21-;/m1./s1
InChI Key:
CAHGSEFWVUVGGL-UBNZBFALSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O.[Cl-]
UNII:
8H1WZY9R6P
Properties
Complexity:
585  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
468.082g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
468.839g/mol
Monoisotopic Mass:
468.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Interaction of selected anthocyanins with erythrocytes and liposome membranes. Cellular & molecular biology letters 20120601
Dietary anthocyanins protect endothelial cells against peroxynitrite-induced mitochondrial apoptosis pathway and Bax nuclear translocation: an in vitro approach. Apoptosis : an international journal on programmed cell death 20111001
Strawberry anthocyanin and its association with postprandial inflammation and insulin. The British journal of nutrition 20110901
Anthocyanin-derived phenolic acids form glucuronides following simulated gastrointestinal digestion and microsomal glucuronidation. Molecular nutrition & food research 20110301
Polyphenols and phenolic acids from strawberry and apple decrease glucose uptake and transport by human intestinal Caco-2 cells. Molecular nutrition & food research 20101201
Comparison of transcriptional profiles of flavonoid genes and anthocyanin contents during fruit development of two botanical forms of Fragaria chiloensis ssp. chiloensis. Phytochemistry 20101101
Urinary excretion of strawberry anthocyanins is dose dependent for physiological oral doses of fresh fruit. Molecular nutrition & food research 20081001
Bioavailability of pelargonidin-3-O-glucoside and its metabolites in humans following the ingestion of strawberries with and without cream. Journal of agricultural and food chemistry 20080213
Strawberry pelargonidin glycosides are excreted in urine as intact glycosides and glucuronidated pelargonidin derivatives in rats. The British journal of nutrition 20071201
Dimeric anthocyanins from strawberry (Fragaria ananassa) consisting of pelargonidin 3-glucoside covalently linked to four flavan-3-ols. Phytochemistry 20040501
Anthocyanin from strawberry (Fragaria ananassa) with the novel aglycone, 5-carboxypyranopelargonidin. Phytochemistry 20040201
Interaction between flavonoids and the blood-brain barrier: in vitro studies. Journal of neurochemistry 20030401
Anthocyanin color behavior and stability during storage: effect of intermolecular copigmentation. Journal of agricultural and food chemistry 20021204
Properties