IUPAC Name :(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
InChI :InChI=1/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
Std.InChI: InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
InChIKey :YIMHGPSYDOGBPI-YZCVQEKWBB
Std.InChIKey: YIMHGPSYDOGBPI-YZCVQEKWSA-N
SMILES :C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C
MDL: MFCD06656312
Molar Refractivity :133.63 ± 0.4 cm3 (est)
Parachor :1081.8 ± 6.0 cm3 (est)
Index of Refraction :1.561 ± 0.03
(est)
Surface Tension :47.3 ± 5.0 dyne/cm (est)
Density :1.14 ± 0.1 g/cm3 (est)
Polarizability :52.97 ± 0.5 10-24cm3 (est)