Vanillyl-B-D-Glucoside

Vanillyl-B-D-Glucoside bmse010047 - Data

Vanillyl_B_D_Glucoside synonyms

2-(4-Hydroxy-3-methoxybenzyloxy)-6-hydroxymethyltetrahydropyran-3,4,5-triol

Wikipedia:

Graphical representations:

Vanillyl_B_D_Glucoside

View large 3D structure

Molecular Formula: C14H20O8

Natural Isotopic Abundance Mass: 316.3038

Mono-Isotopic Molecular Masses:

  • C12N14: 316.1158176188
  • C13N14: 330.162785348
  • C12N15: 316.1158176188
  • C13N15: 330.162785348

InChI string: InChI=1S/C14H20O8/c1-20-9-4-7(2-3-8(9)16)6-21-14-13(19)12(18)11(17)10(5-15)22-14/h2-4,10-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1

USDA_NMR_database: 107

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)