IUPAC Name :(6R)-6-[(3S,4S,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
InChI :InChI=1/C30H46O7/c1-16(11-18(32)12-17(2)26(36)37)20-13-24(35)30(6)19-7-8-22-27(3,10-9-23(34)28(22,4)15-31)25(19)21(33)14-29(20,30)5/h16-17,20,22-24,31,34-35H,7-15H2,1-6H3,(H,36,37)/t16-,17?,20-,22-,23+,24+,27+,28-,29-,30-/m1/s1
Std.InChI: InChI=1S/C30H46O7/c1-16(11-18(32)12-17(2)26(36)37)20-13-24(35)30(6)19-7-8-22-27(3,10-9-23(34)28(22,4)15-31)25(19)21(33)14-29(20,30)5/h16-17,20,22-24,31,34-35H,7-15H2,1-6H3,(H,36,37)/t16-,17?,20-,22-,23+,24+,27+,28-,29-,30-/m1/s1
InChIKey :FMQZBQQCIZBLHW-VJXLWLFUBN
Std.InChIKey: FMQZBQQCIZBLHW-VJXLWLFUSA-N
SMILES :C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@]4(C)CO)O)C)C)C)O
Molar Refractivity :138.63 ± 0.4 cm3 (est)
Parachor :1150.5 ± 6.0 cm3 (est)
Index of Refraction :1.570 ± 0.03
(est)
Surface Tension :55.2 ± 5.0 dyne/cm (est)
Density :1.22 ± 0.1 g/cm3 (est)
Polarizability :54.95 ± 0.5 10-24cm3 (est)