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(+) -Epicatechin

CAT: 1410-M29482-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M29482-05Size:50 mg
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Description
(+) -Epicatechin is a natural product and an antioxidant agent.
CAS Number
35323-91-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
578.52
Molecular Formula
C30H26O12
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

(+)-Epicatechin

(+)-epicatechin is a catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer). It has a role as a cyclooxygenase 1 inhibitor and a plant metabolite. It is a catechin and a polyphenol. It is an enantiomer of a (-)-epicatechin.

CAS Number35323-91-2
PubChem CID182232
IUPAC Name(2S,3S)-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-/m0/s1
InChIKey
PFTAWBLQPZVEMU-ZFWWWQNUSA-N
Chemical Structure
2D Structure
2D structure of (+)-Epicatechin
CAS: 35323-91-2
CID: 182232
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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