Aloin

Aloin bmse001258 - Data

Aloin synonyms

Wikipedia:

Graphical representations:

Aloin

View large 3D structure

Molecular Formula: C21H22O9

Natural Isotopic Abundance Mass: 418.39398

Mono-Isotopic Molecular Masses:

  • C12N14: 418.126382284
  • C13N14: 439.196833882
  • C12N15: 418.126382284
  • C13N15: 439.196833882

InChI string: InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1

PubChem Compound (CID): 12305761

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)