(+)-Catechin hydrate

ISO 17034:
Catalog Number : CS-O-30563
CAS Number : 225937-10-0
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Product Information

Product Name : (+)-Catechin hydrate
Category : API Standards
Purity : Not less than 90%
Synonyms : (2R;3S)-2-(3;4-dihydroxyphenyl)-3;4-dihydro-2H-1- benzopyran-3;5;7-triol hydrate
Molecular Weight : 308.28 mol/g
Molecular Formula : C₁₅H₁₆O₇

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References : "Marco Litschauer and Marie-Alexandra Neouze, ; J, Mater, Chem,; 2008; 18; 640,"
Canonical SMILES : C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.O
Isomeric SMILES : C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.O
InChI : InChI=1S/C15H14O6.H2O/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;1H2/t13-,15+;/m0./s1
InchIKey : OFUMQWOJBVNKLR-NQQJLSKUSA-N
IUPAC Name : (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate
Exact Mass : 308.08960285
Hazard Class : Skin Irrit. 2 (100%)
Description : (+)-catechin monohydrate is the monohydrate of (+)-catechin. It has a role as a geroprotector. It contains a (+)-catechin.
EC Number : 684-232-3