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] 16-methylheptadecanoate
InChI :InChI=1/C45H80O2/c1-34(2)21-18-16-14-12-10-8-9-11-13-15-17-19-24-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(36(5)23-20-22-35(3)4)45(41,7)32-30-42(39)44/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
Std.InChI: InChI=1S/C45H80O2/c1-34(2)21-18-16-14-12-10-8-9-11-13-15-17-19-24-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(36(5)23-20-22-35(3)4)45(41,7)32-30-42(39)44/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKey :JBBRZDLNVILTDL-XNTGVSEIBX
Std.InChIKey: JBBRZDLNVILTDL-XNTGVSEISA-N
SMILES :C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCCCCCCCCCCCCCC(C)C)C)C
Molar Refractivity :203.63 ± 0.4 cm3 (est)
Parachor :1700.7 ± 6.0 cm3 (est)
Index of Refraction :1.504 ± 0.03
(est)
Surface Tension :37.5 ± 5.0 dyne/cm (est)
Density :0.95 ± 0.1 g/cm3 (est)
Polarizability :80.72 ± 0.5 10-24cm3 (est)