Molecule: (24S)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oate
3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oate with S configuration at C-24; major microspecies at pH 7.3.
Synonyms for (24S)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oate :
tetraHCA
Molecular Formula: C27H45O6
Molecular wt: 465.64260 g/mole
Charge: -1
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CC[C@H](O)C(C)C([O-])=O
InChIKey: FAYYTQMQTAKHRM-ASDSSCPRSA-M
InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/p-1/t14-,15?,16+,17-,18-,19+,20+,21+,22-,23+,24+,26+,27-/m1/s1
Sample reactions for this molecule: