Deoxycholic Acid
Deoxycholic_acid synonyms
Deoxycholic acid; 3-Hydroxy-polydeoxycholic acid; Desoxycholic acid; 3alpha-Hydroxy-polydeoxycholate; Desoxycholsaeure; 7alpha-deoxycholic acid; Deoxycholate; 3alpha,12alpha-Dihydroxy-5beta-cholanate; 7-Deoxycholic acid; 3alpha,12alpha-Dihydroxy-5beta-cholanic acid; 3alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid
Graphical representations:
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(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/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): 222528CAS Registry number: 83-44-3
MMCD: cq_02596
Beilstein Registry Number: 3219882
MDL number: MFCD00003673
CAS Registry number: 83-44-3 115349-14-9
Sigma-Aldrich: D2510_SIGMA
EPA DSSTox: 53323
ChEBI: CHEBI:28834
ChemBank: NCI60_041946
ChemIDplus: 115349149
SMID: DHO
KEGG Compound ID: C04483
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)