Vanillin-a-G-b-CA

Vanillin-a-G-b-CA bmse010171 - Data

Vanillin_a_G_b_CA synonyms

Wikipedia:

Graphical representations:

Vanillin_a_G_b_CA

View large 3D structure

Molecular Formula: C34H36O12

Natural Isotopic Abundance Mass: 636.64244

Mono-Isotopic Molecular Masses:

  • C12N14: 636.2206766208
  • C13N14: 670.334741106
  • C12N15: 636.2206766208
  • C13N15: 670.334741106

InChI string: InChI=1S/C34H36O12/c1-21(36)42-15-7-8-24-9-12-28(30(16-24)39-4)45-33(20-43-22(2)37)34(46-29-13-10-25(19-35)17-31(29)40-5)26-11-14-27(44-23(3)38)32(18-26)41-6/h7-14,16-19,33-34H,15,20H2,1-6H3/b8-7+/t33-,34+/m0/s1

USDA_NMR_database: 258

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)