IUPAC Name :4-(7,12-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
InChI :InChI=1/C27H38O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-16,23,28,34H,7-12H2,1-6H3,(H,31,32)
Std.InChI: InChI=1S/C27H38O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-16,23,28,34H,7-12H2,1-6H3,(H,31,32)
InChIKey :GYRDSOABOBCYST-UHFFFAOYAG
Std.InChIKey: GYRDSOABOBCYST-UHFFFAOYSA-N
SMILES :CC(CCC(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)O)C)C
Molar Refractivity :123.34 ± 0.4 cm3 (est)
Parachor :1020.5 ± 6.0 cm3 (est)
Index of Refraction :1.576 ± 0.03
(est)
Surface Tension :56.2 ± 5.0 dyne/cm (est)
Density :1.27 ± 0.1 g/cm3 (est)
Polarizability :48.89 ± 0.5 10-24cm3 (est)