Coniferin Acetate

Coniferin_acetate synonyms

4-(3-hydroxy-1-propenyl)-2-methoxy pheny-l B-D-glycopyranoside pentaacetate

Wikipedia:

Graphical representations:

Coniferin_acetate

View large 3D structure

Molecular Formula: C26H32O13

Natural Isotopic Abundance Mass: 552.52448

Mono-Isotopic Molecular Masses:

  • C12N14: 552.1842911145
  • C13N14: 578.2715168973
  • C12N15: 552.1842911145
  • C13N15: 578.2715168973

InChI string: InChI=1S/C26H32O13/c1-14(27)33-11-7-8-19-9-10-20(21(12-19)32-6)38-26-25(37-18(5)31)24(36-17(4)30)23(35-16(3)29)22(39-26)13-34-15(2)28/h7-10,12,22-26H,11,13H2,1-6H3/b8-7+/t22-,23-,24+,25-,26-/m1/s1

USDA_NMR_database: 120

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)