IUPAC Name :[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
InChI :InChI=1/C30H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)42-30(28(39)26(37)24(35)21(18-31)41-30)29(20-33)27(38)25(36)22(19-32)40-29/h6-7,9-10,21-22,24-28,31-33,35-39H,2-5,8,11-20H2,1H3/b7-6-,10-9-/t21-,22-,24-,25-,26+,27+,28-,29+,30+/m1/s1
Std.InChI: InChI=1S/C30H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)42-30(28(39)26(37)24(35)21(18-31)41-30)29(20-33)27(38)25(36)22(19-32)40-29/h6-7,9-10,21-22,24-28,31-33,35-39H,2-5,8,11-20H2,1H3/b7-6-,10-9-/t21-,22-,24-,25-,26+,27+,28-,29+,30+/m1/s1
InChIKey :PACMATUKLHXEAV-ZGVOVRGBBB
Std.InChIKey: PACMATUKLHXEAV-ZGVOVRGBSA-N
SMILES :O=C(O[C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@]2(O[C@H](CO)[C@@H](O)[C@@H]2O)CO)CCCCCCC\C=C/C\C=C/CCCCC
Molar Refractivity :154.18 ± 0.4 cm3 (est)
Parachor :1328.7 ± 6.0 cm3 (est)
Index of Refraction :1.575 ± 0.03
(est)
Surface Tension :66.0 ± 5.0 dyne/cm (est)
Density :1.29 ± 0.1 g/cm3 (est)
Polarizability :61.12 ± 0.5 10-24cm3 (est)