IUPAC Name :(Z)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic 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/h10,16,18-19,21-22,32,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-/t16?,18-,19+,21+,22+,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/h10,16,18-19,21-22,32,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-/t16?,18-,19+,21+,22+,28+,29-,30+/m1/s1
InChIKey :QECQJYAIIIIKJB-ASDFPSFABF
Std.InChIKey: QECQJYAIIIIKJB-ASDFPSFASA-N
SMILES :CC(CC(=O)/C=C(/C)\[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C)C(=O)O
Molar Refractivity :136.91 ± 0.4 cm3 (est)
Parachor :1124.6 ± 6.0 cm3 (est)
Index of Refraction :1.575 ± 0.03
(est)
Surface Tension :54.3 ± 5.0 dyne/cm (est)
Density :1.24 ± 0.1 g/cm3 (est)
Polarizability :54.27 ± 0.5 10-24cm3 (est)