IUPAC Name :(4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
InChI :InChI=1/C35H52O6/c1-9-21(2)28(38)41-27-19-30(3,4)18-23-22-10-11-25-31(5)14-13-26(37)32(6,20-36)24(31)12-15-34(25,8)33(22,7)16-17-35(23,27)29(39)40/h9-10,23-25,27,36H,11-20H2,1-8H3,(H,39,40)/b21-9+/t23-,24?,25-,27-,31+,32-,33-,34-,35+/m1/s1
Std.InChI: InChI=1S/C35H52O6/c1-9-21(2)28(38)41-27-19-30(3,4)18-23-22-10-11-25-31(5)14-13-26(37)32(6,20-36)24(31)12-15-34(25,8)33(22,7)16-17-35(23,27)29(39)40/h9-10,23-25,27,36H,11-20H2,1-8H3,(H,39,40)/b21-9+/t23-,24?,25-,27-,31+,32-,33-,34-,35+/m1/s1
InChIKey :NZQARWYKOBSGNY-SBVVXQNQBM
Std.InChIKey: NZQARWYKOBSGNY-SBVVXQNQSA-N
SMILES :O=C4[C@@](CO)(C)C5CC[C@@]1([C@H](C/C=C2\[C@]1(CC[C@@]3(C(=O)O)[C@H](OC(=O)/C(=C/C)C)CC(C)(C)C[C@H]23)C)[C@@]5(C)CC4)C
Molar Refractivity :158.38 ± 0.4 cm3 (est)
Parachor :1291.9 ± 6.0 cm3 (est)
Index of Refraction :1.562 ± 0.03
(est)
Surface Tension :49.1 ± 5.0 dyne/cm (est)
Density :1.16 ± 0.1 g/cm3 (est)
Polarizability :62.78 ± 0.5 10-24cm3 (est)