IUPAC Name :(1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
InChI :InChI=1/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1
Std.InChI: InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1
InChIKey :PRAUVHZJPXOEIF-AOLYGAPIBD
Std.InChIKey: PRAUVHZJPXOEIF-AOLYGAPISA-N
SMILES :O=C(O)[C@@]54[C@H](/C3=C/C[C@@H]2[C@]1(C[C@@H](O)[C@H](O)[C@@]([C@@H]1[C@H](O)C[C@@]2(C)[C@]3(C)CC4)(C)CO)C)[C@@H](C)[C@H](C)CC5
MDL: MFCD00895441
Molar Refractivity :138.08 ± 0.4 cm3 (est)
Parachor :1123.6 ± 6.0 cm3 (est)
Index of Refraction :1.590 ± 0.03
(est)
Surface Tension :57.1 ± 5.0 dyne/cm (est)
Density :1.23 ± 0.1 g/cm3 (est)
Polarizability :54.74 ± 0.5 10-24cm3 (est)