IUPAC Name :(2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
InChI :InChI=1/C42H68O13/c1-37(2)17-21-20-9-10-24-40(6)13-12-26(38(3,4)23(40)11-14-42(24,8)41(20,7)16-15-39(21,5)25(44)18-37)53-36-33(30(48)29(47)32(54-36)34(50)51)55-35-31(49)28(46)27(45)22(19-43)52-35/h9,21-33,35-36,43-49H,10-19H2,1-8H3,(H,50,51)/t21-,22-,23?,24?,25+,26?,27-,28+,29+,30+,31-,32+,33-,35+,36-,39-,40+,41-,42-/m1/s1
Std.InChI: InChI=1S/C42H68O13/c1-37(2)17-21-20-9-10-24-40(6)13-12-26(38(3,4)23(40)11-14-42(24,8)41(20,7)16-15-39(21,5)25(44)18-37)53-36-33(30(48)29(47)32(54-36)34(50)51)55-35-31(49)28(46)27(45)22(19-43)52-35/h9,21-33,35-36,43-49H,10-19H2,1-8H3,(H,50,51)/t21-,22-,23?,24?,25+,26?,27-,28+,29+,30+,31-,32+,33-,35+,36-,39-,40+,41-,42-/m1/s1
InChIKey :PPWWANBMWAQXLQ-FZARMGOEBP
Std.InChIKey: PPWWANBMWAQXLQ-FZARMGOESA-N
SMILES :C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)[C@H]1CC(C[C@@H]2O)(C)C)C
Molar Refractivity :200.99 ± 0.4 cm3 (est)
Parachor :1659.9 ± 6.0 cm3 (est)
Index of Refraction :1.605 ± 0.03
(est)
Surface Tension :65.6 ± 5.0 dyne/cm (est)
Density :1.33 ± 0.1 g/cm3 (est)
Polarizability :79.68 ± 0.5 10-24cm3 (est)