IUPAC Name :2-[1-(6-chloro-4,5,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)-1-hydroxyethyl]-3-hydroxy-4,5-dimethyl-2,3-dihydropyran-6-one
InChI :InChI=1/C28H39ClO9/c1-13-14(2)22(33)38-21(20(13)32)25(5,34)27(36)11-10-26(35)16-12-17(29)28(37)19(31)7-6-18(30)24(28,4)15(16)8-9-23(26,27)3/h6-7,15-17,19-21,31-32,34-37H,8-12H2,1-5H3
Std.InChI: InChI=1S/C28H39ClO9/c1-13-14(2)22(33)38-21(20(13)32)25(5,34)27(36)11-10-26(35)16-12-17(29)28(37)19(31)7-6-18(30)24(28,4)15(16)8-9-23(26,27)3/h6-7,15-17,19-21,31-32,34-37H,8-12H2,1-5H3
InChIKey :KWITZWMDVMDLJL-UHFFFAOYAX
Std.InChIKey: KWITZWMDVMDLJL-UHFFFAOYSA-N
SMILES :CC1=C(C(=O)OC(C1O)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)Cl)C)O)O)O)C
Molar Refractivity :136.78 ± 0.4 cm3 (est)
Parachor :1109.2 ± 6.0 cm3 (est)
Index of Refraction :1.639 ± 0.03
(est)
Surface Tension :72.5 ± 5.0 dyne/cm (est)
Density :1.46 ± 0.1 g/cm3 (est)
Polarizability :54.22 ± 0.5 10-24cm3 (est)