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Epicatechin

CAT: 0013-GTR19159174-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159174-06Size:50 mg
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Description
Epicatechin is a flavan-3-ol, a type of natural phenol and antioxidant. It is a plant secondary metabolite. The name of the catechin chemical family derives from catechu, which is the tannic juice or boiled extract of Mimosa catechu (Acacia catechu L.f) . l-Epicatechin can be found in cacao beans and was first called kakaool or cacao-ol. Maximilian Nierenstein was among those who proved the presence of catechin in cocoa beans in 1931.
CAS Number
490-46-0
Product Name Alternative
Epicatechin | (-) -Epicatechin | epi-Catechol | NSC 81161
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 34 mg/mL; 117.13 mM
Smiles
C1[C@H] ([C@H] (Oc2cc (cc (c12) O) O) c1cc (c (cc1) O) O) O
Molecular Formula
C15H14O6
Molecular Weight
290.28
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(2R,3S) -2- (3,4-dihydroxyphenyl) -3,4-dihydro-2H-chromene-3,5,7-triol

Chemical Information

Epicatechin

(-)-epicatechin is a catechin with (2R,3R)-configuration. It has a role as an antioxidant. It is a catechin and a polyphenol. It is an enantiomer of a (+)-epicatechin.

CAS Number490-46-0
PubChem CID72276
IUPAC Name(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular FormulaC15H14O6
Molecular Weight290.27
XLogP0.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity364
SMILES
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
InChIKey
PFTAWBLQPZVEMU-UKRRQHHQSA-N
Chemical Structure
2D Structure
2D structure of Epicatechin
CAS: 490-46-0
CID: 72276
Formula: C15H14O6
MW: 290.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.27
XLogP30.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass290.07903816
Monoisotopic Mass290.07903816
Topological Polar Surface Area110 Ų
Heavy Atom Count21
Formal Charge0
Complexity364
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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RM-E090801-01(+) -Epicatechin
MBS5789041(+)-Epicatechin
sc-506025(−) -Epicatechin

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