p-Cresol Rutinoside-d7 (major)

Product Specifications

Synonyms

(2S,3R,4R,5R,6R)-2-Methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(p-tolyloxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triol-d7; p-Cresol Rutinoside-d7 (major)

Hazard Statement

Not a hazardous substance according to GHS.

Smiles

[2H]c1c([2H])c(c([2H])c([2H])c1O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C([2H])([2H])[2H]

Molecular Formula

C19 D7 H21 O10

Molecular Weight

423.46

InChI

InChI=1S/C19H28O10/c1-8-3-5-10(6-4-8)28-19-17(25)15(23)13(21)11(29-19)7-26-18-16(24)14(22)12(20)9(2)27-18/h3-6,9,11-25H,7H2,1-2H3/t9-,11+,12-,13+,14+,15-,16+,17+,18+,19+/m0/s1/i1D3,3D,4D,5D,6D

Additionnal Information

IUPAC name: (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenoxy]tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol