IUPAC Name :[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl](Z)-octadec-9-enoate
InChI :InChI=1/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,35-42H,7-13,16-34H2,1-6H3/b15-14-/t36-,37+,38+,39+,40-,41+,42+,44+,45-/m1/s1
Std.InChI: InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,35-42H,7-13,16-34H2,1-6H3/b15-14-/t36-,37+,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKey :PRLUQOOFPFWUKQ-KKTNLPSRBX
Std.InChIKey: PRLUQOOFPFWUKQ-KKTNLPSRSA-N
SMILES :CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)C
Molar Refractivity :203.86 ± 0.4 cm3 (est)
Parachor :1704.4 ± 6.0 cm3 (est)
Index of Refraction :1.505 ± 0.03
(est)
Surface Tension :37.8 ± 5.0 dyne/cm (est)
Density :0.95 ± 0.1 g/cm3 (est)
Polarizability :80.81 ± 0.5 10-24cm3 (est)