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Theaflavin-3'-O-gallate, TRC
Tekniske data
Tekniske data
| Kemisk navn eller materiale | Theaflavine-3'-gallate |
| CAS | 28543-07-9 |
| Molekylær formel | C36 H28 O16 |
| Mængde | 10 mg |
| Synonym | Benzoic acid','3,4,5-trihydroxy-','(2R,3R)-2-[8-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-1-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, Benzoic acid','3,4,5-trihydroxy-','2-[8-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-1-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester','[2R-[2α(2R*,3R*),3α]]-, Gallic acid','monoester with 3,4,6-trihydroxy-1,8-bis(3α,5,7-trihydroxy-2α-chromanyl)-5H-benzocyclohepten-5-one (8CI), 5H-Benzocyclohepten-5-one','3,4,6-trihydroxy-1,8-bis(3α,5,7-trihydroxy-2α-chromanyl)-','monogallate (8CI), TF2B, Theaflavin 2B, Theaflavin 3'-gallate, Theaflavin monogallate B |
| InChI formel | InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1 |
| SMIL | O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1C3=Cc4c(cc(O)c(O)c4C(=O)C(=C3)O)[C@H]5Oc6cc(O)cc(O)c6C[C@H]5OC(=O)c7cc(O)c(O)c(O)c7 |
| IUPAC navn | [(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Molekylvægt (g/mol) | 716.6 |
| Formel vægt | 716.1377 |
Produkttitel
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