IUPAC Name :(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
InChI :InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
Std.InChI: InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
InChIKey :NBGQZFQREPIKMG-PONOSELZBU
Std.InChIKey: NBGQZFQREPIKMG-PONOSELZSA-N
SMILES :O=C(O)[C@@]1(C)[C@H](O)CC[C@@]3(C)[C@H]1CC[C@]2([C@]5(/C(=C\C[C@@H]23)[C@@H]4[C@H]([C@@H](CC[C@]4(C)CC5)C)C)C)C
MDL: MFCD04039448
Molar Refractivity :133.52 ± 0.4 cm3 (est)
Parachor :1076.7 ± 6.0 cm3 (est)
Index of Refraction :1.555 ± 0.03 (est)
Surface Tension :44.9 ± 5.0 dyne/cm (est)
Density :1.09 ± 0.1 g/cm3 (est)
Polarizability :52.93 ± 0.5 10-24cm3 (est)