Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Acetylated P-gluco Cinnamic Acid

Acetylated_p_gluco_cinnamic_acid synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C23H26O12

Natural Isotopic Abundance Mass: 494.44534

Mono-Isotopic Molecular Masses:

  • C12N14: 494.1424262998
  • C13N14: 517.2195875692
  • C12N15: 494.1424262998
  • C13N15: 517.2195875692

InChI string: InChI=1S/C23H26O12/c1-12(24)30-11-18-20(31-13(2)25)21(32-14(3)26)22(33-15(4)27)23(35-18)34-17-8-5-16(6-9-17)7-10-19(28)29/h5-10,18,20-23H,11H2,1-4H3,(H,28,29)/b10-7+/t18-,20-,21+,22-,23-/m1/s1

USDA_NMR_database: 158

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,