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-SA Acetate

G_b_SA_acetate synonyms


Graphical representations:


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Molecular Formula: C29H34O12

Natural Isotopic Abundance Mass: 574.57306

Mono-Isotopic Molecular Masses:

  • C12N14: 574.2050265566
  • C13N14: 603.3023168528
  • C12N15: 574.2050265566
  • C13N15: 603.3023168528

InChI string: InChI=1S/C29H34O12/c1-17(30)37-12-8-9-21-13-25(35-6)29(26(14-21)36-7)41-27(16-38-18(2)31)28(40-20(4)33)22-10-11-23(39-19(3)32)24(15-22)34-5/h8-11,13-15,27-28H,12,16H2,1-7H3/b9-8+/t27-,28-/m1/s1

USDA_NMR_database: 188

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,