IUPAC Name :(E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
InChI :InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+/t18-,20-,23+,28-,29-,30+/m1/s1
Std.InChI: InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+/t18-,20-,23+,28-,29-,30+/m1/s1
InChIKey :ZTKZZRIVAYGFSF-PIPDTRPPBV
Std.InChIKey: ZTKZZRIVAYGFSF-PIPDTRPPSA-N
SMILES :C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
MDL: MFCD04039843
Molar Refractivity :133.77 ± 0.4 cm3 (est)
Parachor :1089.5 ± 6.0 cm3 (est)
Index of Refraction :1.547 ± 0.03
(est)
Surface Tension :44.5 ± 5.0 dyne/cm (est)
Density :1.11 ± 0.1 g/cm3 (est)
Polarizability :53.03 ± 0.5 10-24cm3 (est)