IUPAC Name :2-methyl-4-oxo-6-(3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)heptanoic acid
InChI :InChI=1/C30H46O7/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/h15-16,18-19,21-23,32,34-35H,8-14H2,1-7H3,(H,36,37)
Std.InChI: InChI=1S/C30H46O7/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/h15-16,18-19,21-23,32,34-35H,8-14H2,1-7H3,(H,36,37)
InChIKey :RERVSJVGWKIGTJ-UHFFFAOYAM
Std.InChIKey: RERVSJVGWKIGTJ-UHFFFAOYSA-N
SMILES :CC(CC(=O)CC(C)C(=O)O)C1CC(C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C)O
Molar Refractivity :138.60 ± 0.4 cm3 (est)
Parachor :1148.5 ± 6.0 cm3 (est)
Index of Refraction :1.569 ± 0.03
(est)
Surface Tension :54.5 ± 5.0 dyne/cm (est)
Density :1.22 ± 0.1 g/cm3 (est)
Polarizability :54.94 ± 0.5 10-24cm3 (est)