theaflavine

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
IUPAC Name :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
InChI :InChI=1/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1
Std.InChI: InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1
InChIKey :IPMYMEWFZKHGAX-ZKSIBHASBU
Std.InChIKey: IPMYMEWFZKHGAX-ZKSIBHASSA-N
SMILES :c1c(cc(=O)c(c2c1c(cc(c2O)O)[C@@H]3[C@@H](Cc4c(cc(cc4O3)O)O)O)O)[C@@H]5[C@@H](Cc6c(cc(cc6O5)O)O)O
MDL: MFCD03427500
Molar Refractivity :139.34 ± 0.3 cm3 (est)
Parachor :1044.2 ± 6.0 cm3 (est)
Index of Refraction :1.828 ± 0.02 (est)
Surface Tension :116.8 ± 3.0 dyne/cm (est)
Density :1.777 ± 0.06 g/cm3 (est)
Polarizability :55.23 ± 0.5 10-24cm3 (est)