IUPAC Name :(2R,6R)-2-methyl-4-oxo-6-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
InChI :InChI=1/C30H38O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19H,8-13H2,1-7H3,(H,37,38)/t14-,15-,17-,19?,28+,29+,30+/m1/s1
Std.InChI: InChI=1S/C30H38O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19H,8-13H2,1-7H3,(H,37,38)/t14-,15-,17-,19?,28+,29+,30+/m1/s1
InChIKey :AKWNYHCILPEENZ-GESKOEBABZ
Std.InChIKey: AKWNYHCILPEENZ-GESKOEBASA-N
SMILES :C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(C(=O)C(=O)C3=C2C(=O)CC4[C@@]3(CCC(=O)C4(C)C)C)C)C
Molar Refractivity :134.53 ± 0.4 cm3 (est)
Parachor :1124.2 ± 6.0 cm3 (est)
Index of Refraction :1.559 ± 0.03
(est)
Surface Tension :53.2 ± 5.0 dyne/cm (est)
Density :1.26 ± 0.1 g/cm3 (est)
Polarizability :53.33 ± 0.5 10-24cm3 (est)