silybin

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IUPAC Name :(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
InChI :InChI=1/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
Std.InChI: InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
InChIKey :SEBFKMXJBCUCAI-HKTJVKLFBV
Std.InChIKey: SEBFKMXJBCUCAI-HKTJVKLFSA-N
SMILES :O=C4c5c(O)cc(O)cc5O[C@H](c2ccc1O[C@@H]([C@H](Oc1c2)c3ccc(O)c(OC)c3)CO)[C@H]4O
MDL: MFCD03225424
Molar Refractivity :119.96 ± 0.3 cm3 (est)
Parachor :923.7 ± 6.0 cm3 (est)
Index of Refraction :1.684 ± 0.02 (est)
Surface Tension :73.0 ± 3.0 dyne/cm (est)
Density :1.527 ± 0.06 g/cm3 (est)
Polarizability :47.55 ± 0.5 10-24cm3 (est)