[R-(E)]-1-[8-(beta-D-Glucopyranosyloxy)-2,6-dimethyl-2-octenoate] beta-D-Glucopyranose

Analyte Name

[R-(E)]-1-[8-(beta-D-Glucopyranosyloxy)-2,6-dimethyl-2-octenoate] beta-D-Glucopyranose

CAS Number

158921-22-3

Molecular Formula

C22 H38 O13

Molecular Weight

510.529

Accurate Mass

510.231

SMILES

CC(CCO[C@@H]1OC(CO)[C@@H](O)C(O)C1O)CC\C=C(/C)\C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O

InChI

InChI=1S/C22H38O13/c1-10(6-7-32-21-18(29)16(27)14(25)12(8-23)33-21)4-3-5-11(2)20(31)35-22-19(30)17(28)15(26)13(9-24)34-22/h5,10,12-19,21-30H,3-4,6-9H2,1-2H3/b11-5+/t10?,12?,13-,14-,15-,16?,17+,18?,19?,21-,22+/m1/s1

IUPAC

[(2S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-2,6-dimethyl-8-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-2-enoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat