IUPAC Name :(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-[5-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]methyl]oxolan-2-one
InChI :InChI=1/C42H46O12/c1-47-33-9-7-23(17-35(33)49-3)11-27-21-53-41(45)29(27)13-25-15-31(39(43)37(19-25)51-5)32-16-26(20-38(52-6)40(32)44)14-30-28(22-54-42(30)46)12-24-8-10-34(48-2)36(18-24)50-4/h7-10,15-20,27-30,43-44H,11-14,21-22H2,1-6H3/t27-,28-,29+,30+/m0/s1
Std.InChI: InChI=1S/C42H46O12/c1-47-33-9-7-23(17-35(33)49-3)11-27-21-53-41(45)29(27)13-25-15-31(39(43)37(19-25)51-5)32-16-26(20-38(52-6)40(32)44)14-30-28(22-54-42(30)46)12-24-8-10-34(48-2)36(18-24)50-4/h7-10,15-20,27-30,43-44H,11-14,21-22H2,1-6H3/t27-,28-,29+,30+/m0/s1
InChIKey :XYMRYKOVQDOJFH-VZNYXHRGBZ
Std.InChIKey: XYMRYKOVQDOJFH-VZNYXHRGSA-N
SMILES :COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C(=C3)C4=CC(=CC(=C4O)OC)C[C@@H]5[C@H](COC5=O)CC6=CC(=C(C=C6)OC)OC)O)OC)OC
Molar Refractivity :199.20 ± 0.3 cm3 (est)
Parachor :1568.4 ± 6.0 cm3 (est)
Index of Refraction :1.599 ± 0.02
(est)
Surface Tension :52.5 ± 3.0 dyne/cm (est)
Density :1.275 ± 0.06 g/cm3 (est)
Polarizability :78.97 ± 0.5 10-24cm3 (est)