IUPAC Name :(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
InChI :InChI=1/C40H58O3/c1-25(2)27-11-15-31-29(23-27)13-17-33-37(31,5)19-9-21-39(33,7)35(41)43-36(42)40(8)22-10-20-38(6)32-16-12-28(26(3)4)24-30(32)14-18-34(38)40/h13-14,23-26,31-34H,9-12,15-22H2,1-8H3/t31-,32-,33+,34+,37+,38+,39+,40+/m0/s1
Std.InChI: InChI=1S/C40H58O3/c1-25(2)27-11-15-31-29(23-27)13-17-33-37(31,5)19-9-21-39(33,7)35(41)43-36(42)40(8)22-10-20-38(6)32-16-12-28(26(3)4)24-30(32)14-18-34(38)40/h13-14,23-26,31-34H,9-12,15-22H2,1-8H3/t31-,32-,33+,34+,37+,38+,39+,40+/m0/s1
InChIKey :NDTNEAIKTSZYCF-XWNHBAMRBC
Std.InChIKey: NDTNEAIKTSZYCF-XWNHBAMRSA-N
SMILES :CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)OC(=O)[C@@]4(CCC[C@]5([C@H]4CC=C6[C@@H]5CCC(=C6)C(C)C)C)C)C
MDL: MFCD00132205
Molar Refractivity :175.61 ± 0.4 cm3 (est)
Parachor :1394.7 ± 6.0 cm3 (est)
Index of Refraction :1.557 ± 0.03 (est)
Surface Tension :42.9 ± 5.0 dyne/cm (est)
Density :1.07 ± 0.1 g/cm3 (est)
Polarizability :69.61 ± 0.5 10-24cm3 (est)