IUPAC Name :(2S)-2-[(2R,3S,4R,5R,6R)-5-ethyl-6-[(2R,3R,4S,6R)-6-[(2R,3R,5S)-5-[(2R,3R,5S)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxybutyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-3-methyloxan-2-yl]butanoic acid
InChI :InChI=1/C38H68O11/c1-12-17-28(39)36(16-5)19-21(7)38(46,49-36)35(11)18-20(6)32(47-35)25(13-2)30(41)22(8)29(40)23(9)33-26(14-3)31(42)24(10)37(45,48-33)27(15-4)34(43)44/h20-29,31-33,39-40,42,45-46H,12-19H2,1-11H3,(H,43,44)/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29+,31+,32-,33-,35+,36+,37-,38-/m1/s1
Std.InChI: InChI=1S/C38H68O11/c1-12-17-28(39)36(16-5)19-21(7)38(46,49-36)35(11)18-20(6)32(47-35)25(13-2)30(41)22(8)29(40)23(9)33-26(14-3)31(42)24(10)37(45,48-33)27(15-4)34(43)44/h20-29,31-33,39-40,42,45-46H,12-19H2,1-11H3,(H,43,44)/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29+,31+,32-,33-,35+,36+,37-,38-/m1/s1
InChIKey :NZJHONRWXITMMC-SHVTYPMQBG
Std.InChIKey: NZJHONRWXITMMC-SHVTYPMQSA-N
SMILES :CCC[C@@H]([C@@]1(C[C@H]([C@@](O1)([C@@]2(C[C@H]([C@@H](O2)[C@@H](CC)C(=O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]3[C@@H]([C@H]([C@@H]([C@@](O3)([C@H](CC)C(=O)O)O)C)O)CC)O)C)C)O)C)CC)O
Molar Refractivity :185.84 ± 0.3 cm3 (est)
Parachor :1596.0 ± 6.0 cm3 (est)
Index of Refraction :1.510 ± 0.02
(est)
Surface Tension :43.8 ± 3.0 dyne/cm (est)
Density :1.129 ± 0.06 g/cm3 (est)
Polarizability :73.67 ± 0.5 10-24cm3 (est)