IUPAC Name :(6S)-6-hydroxy-6-[(7S,10S,13R,14R,17S)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
InChI :InChI=1/C30H42O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-20,32,38H,8-14H2,1-7H3,(H,36,37)/t15?,17-,19?,20-,27-,28+,29-,30-/m0/s1
Std.InChI: InChI=1S/C30H42O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-20,32,38H,8-14H2,1-7H3,(H,36,37)/t15?,17-,19?,20-,27-,28+,29-,30-/m0/s1
InChIKey :XXHBQOHASACCAP-VCIIIMPWBO
Std.InChIKey: XXHBQOHASACCAP-VCIIIMPWSA-N
SMILES :CC(CC(=O)C[C@@](C)([C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](CC4[C@@]3(CCC(=O)C4(C)C)C)O)C)C)O)C(=O)O
Molar Refractivity :137.38 ± 0.4 cm3 (est)
Parachor :1144.2 ± 6.0 cm3 (est)
Index of Refraction :1.572 ± 0.03
(est)
Surface Tension :56.4 ± 5.0 dyne/cm (est)
Density :1.27 ± 0.1 g/cm3 (est)
Polarizability :54.46 ± 0.5 10-24cm3 (est)