IUPAC Name :[(2R,3R)-2-[3a,5,7-trihydroxy-3,4,6-trioxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-8bH-cyclopenta[a]inden-8a-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChI :InChI=1/C37H28O18/c38-12-3-17(40)14-7-21(44)31(53-23(14)5-12)16-9-26(46)37(52)32(16)36(10-22(45)29(48)30(49)27(36)33(37)50)34-25(8-15-18(41)4-13(39)6-24(15)54-34)55-35(51)11-1-19(42)28(47)20(43)2-11/h1-6,9-10,21,25,31-32,34,38-45,47,49,52H,7-8H2/t21-,25-,31-,32?,34+,36?,37?/m1/s1
Std.InChI: InChI=1S/C37H28O18/c38-12-3-17(40)14-7-21(44)31(53-23(14)5-12)16-9-26(46)37(52)32(16)36(10-22(45)29(48)30(49)27(36)33(37)50)34-25(8-15-18(41)4-13(39)6-24(15)54-34)55-35(51)11-1-19(42)28(47)20(43)2-11/h1-6,9-10,21,25,31-32,34,38-45,47,49,52H,7-8H2/t21-,25-,31-,32?,34+,36?,37?/m1/s1
InChIKey :WCQMIZTZMRUYPY-OTGUSXJOBS
Std.InChIKey: WCQMIZTZMRUYPY-OTGUSXJOSA-N
SMILES :C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C4(C3C5(C=C(C(=O)C(=C5C4=O)O)O)[C@@H]6[C@@H](CC7=C(C=C(C=C7O6)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O
Molar Refractivity :175.19 ± 0.4 cm3 (est)
Parachor :1348.2 ± 6.0 cm3 (est)
Index of Refraction :1.900 ± 0.03
(est)
Surface Tension :164.8 ± 5.0 dyne/cm (est)
Density :2.02 ± 0.1 g/cm3 (est)
Polarizability :69.45 ± 0.5 10-24cm3 (est)