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] (E)-hexadec-9-enoate
InChI :InChI=1/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12+/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
Std.InChI: InChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12+/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
InChIKey :HODJWNWCVNUPAQ-ZCORLQAUBO
Std.InChIKey: HODJWNWCVNUPAQ-ZCORLQAUSA-N
SMILES :O=C(O[C@@H]4C/C3=C/C[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)C)[C@@]3(C)CC4)CCCCCCC/C=C/CCCCCC
MDL: MFCD00056442
Molar Refractivity :194.30 ± 0.4 cm3 (est)
Parachor :1610.2 ± 6.0 cm3 (est)
Index of Refraction :1.511 ± 0.03
(est)
Surface Tension :38.2 ± 5.0 dyne/cm (est)
Density :0.96 ± 0.1 g/cm3 (est)
Polarizability :77.02 ± 0.5 10-24cm3 (est)