IUPAC Name :(3R,4R)-3,4-bis[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]oxolan-2-one
InChI :InChI=1/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3/t24-,25+,28-,29-,36+,37+/m0/s1
Std.InChI: InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3/t24-,25+,28-,29-,36+,37+/m0/s1
InChIKey :YXNKOCZXAVTXTG-NYGVLQSXBC
Std.InChIKey: YXNKOCZXAVTXTG-NYGVLQSXSA-N
SMILES :COC1=C(C=CC(=C1)[C@@H]2[C@H](C3=CC(=CC(=C3O2)OC)C[C@H]4COC(=O)[C@@H]4CC5=CC(=C6C(=C5)[C@@H]([C@H](O6)C7=CC(=C(C=C7)O)OC)CO)OC)CO)O
Molar Refractivity :188.67 ± 0.3 cm3 (est)
Parachor :1463.2 ± 6.0 cm3 (est)
Index of Refraction :1.628 ± 0.02
(est)
Surface Tension :57.4 ± 3.0 dyne/cm (est)
Density :1.344 ± 0.06 g/cm3 (est)
Polarizability :74.79 ± 0.5 10-24cm3 (est)