Apocholic Acid

Apocholic Acid bmse000733 - Data

Apocholic_acid synonyms

3alpha,12alpha-Dihydroxy-5beta,8(14)-cholen-24-oic acid; 3alpha,12alpha-Dihydroxy-5beta-chol-8(14)en-24-oic acid; 3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid; 5beta,8(14)-Cholen-24-oic acid-3alpha,12alpha-diol; Apocholic acid

Wikipedia:

Graphical representations:

apocholic_acid

View large 3D structure

Molecular Formula: C24H38O4

Natural Isotopic Abundance Mass: 390.55612

Mono-Isotopic Molecular Masses:

  • C12N14: 390.2770097082
  • C13N14: 414.3575258154
  • C12N15: 390.2770097082
  • C13N15: 414.3575258154

InChI string: InChI=1S/C24H38O4/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/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1

PubChem Compound (CID): 101818
CAS Registry number: 641-81-6
Sigma-Aldrich: 260142_ALDRICH
LipidMAPS: LMST04010224
KEGG Compound ID: C15375
MMCD: cq_17010
CAS Registry number: 641-81-6

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)