IUPAC Name :(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol
InChI :InChI=1/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30-/m0/s1
Std.InChI: InChI=1S/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30-/m0/s1
InChIKey :TWKNDDJHVQUEJF-NXUDHOIXBK
Std.InChIKey: TWKNDDJHVQUEJF-NXUDHOIXSA-N
SMILES :CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]2O)C)C)(C)C)O)C)CO
Molar Refractivity :134.89 ± 0.3 cm3 (est)
Parachor :1088.0 ± 6.0 cm3 (est)
Index of Refraction :1.536 ± 0.02
(est)
Surface Tension :40.2 ± 3.0 dyne/cm (est)
Density :1.061 ± 0.06 g/cm3 (est)
Polarizability :53.47 ± 0.5 10-24cm3 (est)