Molecule: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid
A steroid acid that is 5beta-cholestan-26-oic acid which is substituted by hydroxy groups as the 3alpha, 7alpha, and 12alpha positions.
Synonyms for 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid :
(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestan-26-oic acid
3,7,12-trihydroxycholestan-26-oic acid
coprocholic acid
Molecular Formula: C27H46O5
Molecular wt: 450.65110 g/mole
Charge: 0
SMILES: C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey: CNWPIIOQKZNXBB-VCVMUKOKSA-N
InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
Sample reactions for this molecule: