2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-1(2H)-BENZOPYRAN-3,5,7-TRIOL 5-(3,4,5-TRIHYDROXYBENZOATE)

CAS No.
128232-62-2
CCD No.
CCD07507358
Formula
C22 H18 O10
MolWeight
442.374

Basic Information

Product Name: 2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-1(2H)-BENZOPYRAN-3,5,7-TRIOL 5-(3,4,5-TRIHYDROXYBENZOATE)
CAS: 128232-62-2
English Synonyms: 2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-1(2H)-BENZOPYRAN-3,5,7-TRIOL 5-(3,4,5-TRIHYDROXYBENZOATE) ; CATECHIN 5-GALLATE ; CATECHIN-5-O-GALLATE
MDL Number.: MFCD22586455
H bond acceptor: 10
H bond donor: 7
Smile: c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3OC(=O)c4cc(c(c(c4)O)O)O)O)O2)O)O)O
InChi: InChI=1S/C22H18O10/c23-11-6-18-12(8-17(28)21(31-18)9-1-2-13(24)14(25)3-9)19(7-11)32-22(30)10-4-15(26)20(29)16(27)5-10/h1-7,17,21,23-29H,8H2/t17-,21+/m0/s1
InChiKey: InChIKey=LVJJFMLUMNSUFN-LAUBAEHRSA-N

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