Molecule: calcitroic acid
A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group and the C-23/C-27 unit is replaced by a carboxy group.
Synonyms for calcitroic acid :
1alpha,3beta-dihydroxy-9,10-seco-24-nor-5,7,10(19)-cholatrien-23-oic acid
1alpha-Hydroxy-23-carboxytetranorvitamin D
1alpha-hydroxy-24,25,26,27-tetranorvitamin D3 23-carboxylic acid
Molecular Formula: C23H34O4
Molecular wt: 374.51366 g/mole
Charge: 0
SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC(O)=O
InChIKey: MBLYZRMZFUWLOZ-ZTIKAOTBSA-N
InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18-,19-,20+,21+,23-/m1/s1
Sample reactions for this molecule: