IUPAC Name :(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
InChI :InChI=1/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
Std.InChI: InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
InChIKey :AKNNEGZIBPJZJG-MSOLQXFVBO
Std.InChIKey: AKNNEGZIBPJZJG-MSOLQXFVSA-N
SMILES :CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
MDL: MFCD00069316
Molar Refractivity :106.49 ± 0.3 cm3 (est)
Parachor :826.5 ± 6.0 cm3 (est)
Index of Refraction :1.602 ± 0.02
(est)
Surface Tension :50.4 ± 3.0 dyne/cm (est)
Density :1.332 ± 0.06 g/cm3 (est)
Polarizability :42.21 ± 0.5 10-24cm3 (est)