IUPAC Name :[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-hydroxyoctadecanoate
InChI :InChI=1/C45H80O3/c1-7-8-9-16-22-37(46)23-17-14-12-10-11-13-15-18-24-43(47)48-38-29-31-44(5)36(33-38)25-26-39-41-28-27-40(35(4)21-19-20-34(2)3)45(41,6)32-30-42(39)44/h25,34-35,37-42,46H,7-24,26-33H2,1-6H3/t35-,37?,38+,39+,40-,41+,42+,44+,45-/m1/s1
Std.InChI: InChI=1S/C45H80O3/c1-7-8-9-16-22-37(46)23-17-14-12-10-11-13-15-18-24-43(47)48-38-29-31-44(5)36(33-38)25-26-39-41-28-27-40(35(4)21-19-20-34(2)3)45(41,6)32-30-42(39)44/h25,34-35,37-42,46H,7-24,26-33H2,1-6H3/t35-,37?,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKey :XKMYWNHZAQUEPY-YZGJEOKZBS
Std.InChIKey: XKMYWNHZAQUEPY-YZGJEOKZSA-N
SMILES :CCCCCCC(CCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C)O
Molar Refractivity :205.16 ± 0.4 cm3 (est)
Parachor :1717.7 ± 6.0 cm3 (est)
Index of Refraction :1.511 ± 0.03
(est)
Surface Tension :39.7 ± 5.0 dyne/cm (est)
Density :0.97 ± 0.1 g/cm3 (est)
Polarizability :81.33 ± 0.5 10-24cm3 (est)