Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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G-b-G-c-CA (acetate)

G_b_G_c_CA_acetate synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C40H44O15

Natural Isotopic Abundance Mass: 764.76836

Mono-Isotopic Molecular Masses:

  • C12N14: 764.2680207439
  • C13N14: 804.4022142559
  • C12N15: 764.2680207439
  • C13N15: 804.4022142559

InChI string: InChI=1/C40H44O15/c1-22(41)49-15-9-10-27-16-30-31(20-50-23(2)42)38(55-40(30)36(17-27)48-8)28-11-14-33(35(18-28)47-7)54-37(21-51-24(3)43)39(53-26(5)45)29-12-13-32(52-25(4)44)34(19-29)46-6/h9-14,16-19,31,37-39H,15,20-21H2,1-8H3/b10-9+

USDA_NMR_database: 216

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,