Theaflavin (Standard)

3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one

Also Known As: Theaflavin|Theaflavine|(-)-Theaflavin|Theaflavin-1|Theaflavin (Standard)|HY-N0243R|HY-N0243|CS-5885|3,4,6-Trihydroxy-1,8-bis((2R,3R)-3,5,7-trihydroxychroman-2-yl)-5H-benzo[7]annulen-5-one|1,8-Bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-5H-benzocyclohepten-5-one|3,4,6-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-5-one|3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-6-one|(2R)-2alpha-[3,4,6-Trihydroxy-1-[(2R)-3alpha,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2alpha-yl]-5-oxo-5H-benzocycloheptene-8-yl]-3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol|(4az,7e,9z)-1-((2r,3r)-3,4-dihydro-3,5,7-trihydroxy-2h-chromen-2-yl)-3,4,5-trihydroxy-8-((2r,3r)-3,5,7-trihydroxychroman-2-yl)-6h-benzo[7]annulen-6-one|1,8-Bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one|3,4,6-Trihydroxy-1,8-bis(3,4-dihydro-3alpha,5,7-trihydroxy-2H-1-benzopyran-2alpha-yl)-5H-benzocycloheptene-5-one|3,4,6-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-5-one|3,4,6-Trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxychroman-2-yl]-5H-benzocycloheptene-5-one|3,4,6-Trihydroxy-1,8-bis[[(2R)-3,4-dihydro-3alpha,5,7-trihydroxy-2H-1-benzopyran]-2alpha-yl]-5H-benzocyclohepten-5-one|5H-Benzocyclohepten-5-one, 1,8-bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-|5H-Benzocyclohepten-5-one, 1,8-bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-3,4,6-trihydroxy-

Molecular Formula	C29H24O12
Molecular Weight	564.1268 g/mol
LogP	2.21
Topological Polar Surface Area	217.6 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	12
Rotatable Bonds	2
Exact Mass	564.1268
Heavy Atoms	41
Complexity	1800.6

Chemical Identifiers

CAS Number	4670-05-7
SMILES	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O