IUPAC Name :2-[[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
InChI :InChI=1/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+
Std.InChI: InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+
InChIKey :OJGRBKZBRBHZGE-NBVRZTHBBN
Std.InChIKey: OJGRBKZBRBHZGE-NBVRZTHBSA-N
SMILES :CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C)(CC/C=C(\C)/CCC=C(C)C)C=C)O)O)OC3C(C(C(C(O3)C)OC4C(C(C(C(O4)C)O)O)O)O)O)O)O)O
Molar Refractivity :202.44 ± 0.4 cm3 (est)
Parachor :1719.8 ± 6.0 cm3 (est)
Index of Refraction :1.587 ± 0.03
(est)
Surface Tension :66.5 ± 5.0 dyne/cm (est)
Density :1.36 ± 0.1 g/cm3 (est)
Polarizability :80.25 ± 0.5 10-24cm3 (est)