IUPAC Name :(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6,12-dihydroxy-4,4,6,8,10,14-hexamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI :InChI=1/C43H74O14/c1-21(2)11-10-14-43(9,57-36-34(52)32(50)30(48)25(19-45)55-36)22-12-16-40(6)28(22)23(46)17-26-39(5)15-13-27(38(3,4)37(39)42(8,53)20-41(26,40)7)56-35-33(51)31(49)29(47)24(18-44)54-35/h11,22-37,44-53H,10,12-20H2,1-9H3/t22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,39+,40+,41+,42-,43-/m0/s1
Std.InChI: InChI=1S/C43H74O14/c1-21(2)11-10-14-43(9,57-36-34(52)32(50)30(48)25(19-45)55-36)22-12-16-40(6)28(22)23(46)17-26-39(5)15-13-27(38(3,4)37(39)42(8,53)20-41(26,40)7)56-35-33(51)31(49)29(47)24(18-44)54-35/h11,22-37,44-53H,10,12-20H2,1-9H3/t22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,39+,40+,41+,42-,43-/m0/s1
InChIKey :LFUJTPIMABONBF-OFHZBHPZBS
Std.InChIKey: LFUJTPIMABONBF-OFHZBHPZSA-N
SMILES :CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)(C)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C
Molar Refractivity :210.59 ± 0.4 cm3 (est)
Parachor :1756.3 ± 6.0 cm3 (est)
Index of Refraction :1.599 ± 0.03
(est)
Surface Tension :66.0 ± 5.0 dyne/cm (est)
Density :1.32 ± 0.1 g/cm3 (est)
Polarizability :83.48 ± 0.5 10-24cm3 (est)