Analyte Name

Harpagoside-D5

Molecular Formula

C24 D5 H25 O11

Molecular Weight

499.519

Accurate Mass

499.21

SMILES

[2H]c1c([2H])c([2H])c(\C=C\C(=O)O[C@@]2(C)C[C@@H](O)[C@]3(O)C=CO[C@@H](OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]23)c([2H])c1[2H]

InChI

InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21?,22+,23+,24-/m1/s1/i2D,3D,4D,5D,6D

IUPAC

[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(2,3,4,5,6-pentadeuteriophenyl)prop-2-enoate

Unlabelled CAS Number

19210-12-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat