IUPAC Name :3,4,5-trihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]oxane-2-carboxylic acid
InChI :InChI=1/C36H56O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-22,24-28,30,37,39-41H,9-18H2,1-7H3,(H,42,43)
Std.InChI: InChI=1S/C36H56O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-22,24-28,30,37,39-41H,9-18H2,1-7H3,(H,42,43)
InChIKey :CBJRVPYJFXDQDY-UHFFFAOYAP
Std.InChIKey: CBJRVPYJFXDQDY-UHFFFAOYSA-N
SMILES :CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C
Molar Refractivity :167.41 ± 0.4 cm3 (est)
Parachor :1374.7 ± 6.0 cm3 (est)
Index of Refraction :1.590 ± 0.03
(est)
Surface Tension :59.1 ± 5.0 dyne/cm (est)
Density :1.27 ± 0.1 g/cm3 (est)
Polarizability :66.36 ± 0.5 10-24cm3 (est)