IUPAC Name :(3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
InChI :InChI=1/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24+,25-,26+,28-,29-,30-,31+/m1/s1
Std.InChI: InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24+,25-,26+,28-,29-,30-,31+/m1/s1
InChIKey :MRNPHCMRIQYRFU-KXUMSINMBL
Std.InChIKey: MRNPHCMRIQYRFU-KXUMSINMSA-N
SMILES :CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4[C@@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC)C)C)C)C
Molar Refractivity :136.70 ± 0.4 cm3 (est)
Parachor :1097.9 ± 6.0 cm3 (est)
Index of Refraction :1.524 ± 0.03
(est)
Surface Tension :36.5 ± 5.0 dyne/cm (est)
Density :0.98 ± 0.1 g/cm3 (est)
Polarizability :54.19 ± 0.5 10-24cm3 (est)