caffeoylcalleryanin

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IUPAC Name :[3-hydroxy-4-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI :InChI=1/C23H26O10/c24-10-19-22(30)23(31)21(29)18(33-19)9-14-4-1-13(8-16(14)26)11-32-20(28)6-3-12-2-5-15(25)17(27)7-12/h1-8,18-19,21-27,29-31H,9-11H2/b6-3+/t18-,19+,21-,22+,23+/m0/s1
Std.InChI: InChI=1S/C23H26O10/c24-10-19-22(30)23(31)21(29)18(33-19)9-14-4-1-13(8-16(14)26)11-32-20(28)6-3-12-2-5-15(25)17(27)7-12/h1-8,18-19,21-27,29-31H,9-11H2/b6-3+/t18-,19+,21-,22+,23+/m0/s1
InChIKey :YDJLFWPNLWDJMA-MMQJDZJBBM
Std.InChIKey: YDJLFWPNLWDJMA-MMQJDZJBSA-N
SMILES :C1=CC(=C(C=C1COC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)C[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Molar Refractivity :117.26 ± 0.3 cm3 (est)
Parachor :901.7 ± 4.0 cm3 (est)
Index of Refraction :1.703 ± 0.02 (est)
Surface Tension :79.1 ± 3.0 dyne/cm (est)
Density :1.529 ± 0.06 g/cm3 (est)
Polarizability :46.48 ± 0.5 10-24cm3 (est)