IUPAC Name :[(3S,8S,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] 2,4-dichlorobenzoate
InChI :InChI=1/C34H48Cl2O2/c1-21(2)7-6-8-22(3)28-13-14-29-26-11-9-23-19-25(38-32(37)27-12-10-24(35)20-31(27)36)15-17-33(23,4)30(26)16-18-34(28,29)5/h9-10,12,20-22,25-26,28-30H,6-8,11,13-19H2,1-5H3/t22-,25+,26+,28-,29+,30?,33+,34-/m1/s1
Std.InChI: InChI=1S/C34H48Cl2O2/c1-21(2)7-6-8-22(3)28-13-14-29-26-11-9-23-19-25(38-32(37)27-12-10-24(35)20-31(27)36)15-17-33(23,4)30(26)16-18-34(28,29)5/h9-10,12,20-22,25-26,28-30H,6-8,11,13-19H2,1-5H3/t22-,25+,26+,28-,29+,30?,33+,34-/m1/s1
InChIKey :NZZFKZMKJPWVDL-DTXYFFJBBN
Std.InChIKey: NZZFKZMKJPWVDL-DTXYFFJBSA-N
SMILES :Clc1ccc(c(Cl)c1)C(=O)O[C@@H]5C/C4=C/C[C@@H]2C(CC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)[C@@]4(C)CC5
MDL: MFCD01910139
Molar Refractivity :159.29 ± 0.4 cm3 (est)
Parachor :1269.6 ± 6.0 cm3 (est)
Index of Refraction :1.559 ± 0.03
(est)
Surface Tension :43.9 ± 5.0 dyne/cm (est)
Density :1.13 ± 0.1 g/cm3 (est)
Polarizability :63.14 ± 0.5 10-24cm3 (est)