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] butanoate
InChI :InChI=1/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
Std.InChI: InChI=1S/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
InChIKey :CKDZWMVGDHGMFR-GTPODGLVBO
Std.InChIKey: CKDZWMVGDHGMFR-GTPODGLVSA-N
SMILES :CCCC(=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
MDL: MFCD00021144
Molar Refractivity :138.81 ± 0.4 cm3 (est)
Parachor :1141.7 ± 6.0 cm3 (est)
Index of Refraction :1.513 ± 0.03
(est)
Surface Tension :37.4 ± 5.0 dyne/cm (est)
Density :0.98 ± 0.1 g/cm3 (est)
Polarizability :55.03 ± 0.5 10-24cm3 (est)