IUPAC Name :(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
InChI :InChI=1/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1
Std.InChI: InChI=1S/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1
InChIKey :BZXULBWGROURAF-IKNLXHIFBL
Std.InChIKey: BZXULBWGROURAF-IKNLXHIFSA-N
SMILES :C[C@@]12CC[C@@]3(C(=CC[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]1CC(CC2)(C)C)C
MDL: MFCD03788779
Molar Refractivity :133.57 ± 0.4 cm3 (est)
Parachor :1077.0 ± 6.0 cm3 (est)
Index of Refraction :1.557 ± 0.03
(est)
Surface Tension :45.4 ± 5.0 dyne/cm (est)
Density :1.10 ± 0.1 g/cm3 (est)
Polarizability :52.95 ± 0.5 10-24cm3 (est)