Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Chenodeoxycholic Acid

Chenodeoxycholic Acid synonyms


Graphical representations:


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Molecular Formula: C24H40O4

Natural Isotopic Abundance Mass: 392.572000000001

Mono-Isotopic Molecular Masses:

  • C12N14: 392.292659760001
  • C13N14: 416.373175872001
  • C12N15: 392.292659760001
  • C13N15: 416.373175872001

InChI string: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1

MMCD: cq_01560
PDB Compound ID: JN3
PubChem Compound (CID): 10133

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,