IUPAC Name :(2R,3R,4R,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
InChI :InChI=1/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28-,29-,30+/m1/s1
Std.InChI: InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28-,29-,30+/m1/s1
InChIKey :FYGSMJAMPMZYFS-NQVBXAEWBT
Std.InChIKey: FYGSMJAMPMZYFS-NQVBXAEWSA-N
SMILES :C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@]5(C)C(=O)O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
Molar Refractivity :138.25 ± 0.4 cm3 (est)
Parachor :1129.2 ± 6.0 cm3 (est)
Index of Refraction :1.599 ± 0.03
(est)
Surface Tension :60.6 ± 5.0 dyne/cm (est)
Density :1.28 ± 0.1 g/cm3 (est)
Polarizability :54.80 ± 0.5 10-24cm3 (est)