BMRB

Biological Magnetic Resonance Data Bank


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

Hyodeoxycholic Acid

Hyodeoxycholic Acid bmse000702 - Data

Hyodeoxycholic_acid synonyms

3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic acid; Hyodeoxycholic acid

Wikipedia:

Graphical representations:

hyodeoxycholic_acid

View large 3D structure

Molecular Formula: C24H40O4

Natural Isotopic Abundance Mass: 392.572

Mono-Isotopic Molecular Masses:

  • C12N14: 392.2926597724
  • C13N14: 416.3731758796
  • C12N15: 392.2926597724
  • C13N15: 416.3731758796

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

PubChem Compound (CID): 16219478
Sigma-Aldrich: H3878_SIGMA
ChemSpider: 17346802
MMCD: cq_10767
MDL: MFCD00003681

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)