IUPAC Name :(6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
InChI :InChI=1/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21,23,35H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,21+,23+,28+,29-,30+/m1/s1
Std.InChI: InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21,23,35H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,21+,23+,28+,29-,30+/m1/s1
InChIKey :KIJCKCLHIXLFEW-JJWHRAAEBQ
Std.InChIKey: KIJCKCLHIXLFEW-JJWHRAAESA-N
SMILES :C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
Molar Refractivity :135.81 ± 0.4 cm3 (est)
Parachor :1128.9 ± 6.0 cm3 (est)
Index of Refraction :1.559 ± 0.03
(est)
Surface Tension :51.9 ± 5.0 dyne/cm (est)
Density :1.22 ± 0.1 g/cm3 (est)
Polarizability :53.84 ± 0.5 10-24cm3 (est)