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Theaflavin 3,3'-Digallate

CAT: 0572-TRC-T340205-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T340205-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30462-35-2
Synonyms
Benzoic acid, 3,4,5-trihydroxy-, 1,1'-[(3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,8-diyl)bis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl]] ester; Benzoic acid, 3,4,5-trihydroxy-, (3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,8-diyl)bis(3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl) ester, [2R-[2α(2R*,3R*),3α]]-; Benzoic acid, 3,4,5-trihydroxy-, (3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,8-diyl)bis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl] ester (9CI); TF3; Theaflavin 3; Theaflavin 3,3'-di-O-gallate; Theaflavin 3,3'-digallate
Hazard Statement
No Data Available
Smiles
OC1=CC(=Cc2c(cc(O)c(O)c2C1=O)[C@H]3Oc4cc(O)cc(O)c4C[C@H]3OC(=O)c5cc(O)c(O)c(O)c5)[C@H]6Oc7cc(O)cc(O)c7C[C@H]6OC(=O)c8cc(O)c(O)c(O)c8
Molecular Formula
C43 H32 O20
Molecular Weight
868.7
InChI
InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34-,40-,41-/m1/s1
Additionnal Information
IUPAC name: [(2R,3R)-2-[1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Shipping Conditions
Room Temperature

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