Epigallocatechin 3-O-(3-O-Methyl)-Gallate

ISO 17034:
Catalog Number : CS-P-07416
CAS Number : 83104-87-4
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What is the Chemical Information of Epigallocatechin 3-O-(3-O-Methyl)-Gallate?

Chemical Name : Epigallocatechin 3-O-(3-O-Methyl)-Gallate
Category : Impurities

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Canonical SMILES : COC1=CC(=CC(=C1O)O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C(=C4)O)O)O)O)O
Isomeric SMILES : COC1=CC(=CC(=C1O)O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C(=C4)O)O)O)O)O
InChI : InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1
InchIKey : WVRDOLPMKOCJRJ-DENIHFKCSA-N
IUPAC Name : [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate
Exact Mass : 472.10056145
Use Classification : Polyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
Description : (-)-Epigallocatechin 3-(3-methyl-gallate) is a catechin.

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CAT NO. COMPOUND CAS NO. Category
CS-P-07416 Epigallocatechin 3-O-(3-O-Methyl)-Gallate 83104-87-4  Impurities