IUPAC Name :[(1aS,1bS,5S,5aS,6S,6aS)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate
InChI :InChI=1/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3/t11-,12-,14-,15-,16-,17-,18+,19+,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1
Std.InChI: InChI=1S/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3/t11-,12-,14-,15-,16-,17-,18+,19+,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1
InChIKey :ZTHFWSGQXKJHJD-WWSDMLAVBK
Std.InChIKey: ZTHFWSGQXKJHJD-WWSDMLAVSA-N
SMILES :CC(C)CC(=O)O[C@H]1[C@H]2[C@H]([C@H]3[C@@H]([C@]2(CO)O)O3)C(=CO1)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
Molar Refractivity :142.31 ± 0.4 cm3 (est)
Parachor :1212.4 ± 6.0 cm3 (est)
Index of Refraction :1.641 ± 0.03
(est)
Surface Tension :89.6 ± 5.0 dyne/cm (est)
Density :1.62 ± 0.1 g/cm3 (est)
Polarizability :56.41 ± 0.5 10-24cm3 (est)