echinacin

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IUPAC Name :[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
InChI :InChI=1/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1
Std.InChI: InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1
InChIKey :WPQRDUGBKUNFJW-ZZSHFKPLBX
Std.InChIKey: WPQRDUGBKUNFJW-ZZSHFKPLSA-N
SMILES :C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O
Molar Refractivity :145.89 ± 0.3 cm3 (est)
Parachor :1119.2 ± 6.0 cm3 (est)
Index of Refraction :1.719 ± 0.02 (est)
Surface Tension :84.2 ± 3.0 dyne/cm (est)
Density :1.565 ± 0.06 g/cm3 (est)
Polarizability :57.83 ± 0.5 10-24cm3 (est)