ST033520 Chenodeoxycholic acid

MW: 392.58

CAS: 474-25-9

MDL: MFCD01881403

TNP: TNP00365

URSODEOXYCHOLOC ACID; 3,7-dihydroxy-,(3-alpha,5-beta,7-alpha)-cholan-24-oicaci; 3,7-dihydroxy-,(3alpha,5beta,7alpha)-cholan-24-oicaci; 3,7-Dihydroxy-5-Cholanicacid; 3-alpha,7-alpha-dihydroxy-5-beta-cholan-24-oicaci; 3-alpha,7-alpha-dihydroxy-5-beta-cholan-24-o

LogP: 7.09

LogS: -5.79

Acceptors: 4

Donors: 3

Rotation Bonds: 5

Chiral Centers: 10

N+O: 4

LIPINSKY: 3

Info: A20 = +11-13o, mp=141-142

IUPAC: (4R)-4-((1S,2S,7S,11S,5R,9R,10R,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo [8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid

Smiles: C1[C@@H](CC[C]2([C@@H]1(C[C@H]([C@@H]1([C@@H]2(CC[C]2([C@H]1(CC[C@@H]2([C@H](C)CCC(O)=O)))C)))O))C)O

Specification: Intermediates & Fine Chemicals; Pharmaceuticals; Steroids; Intracellular receptor Chenodeoxycholic acid Chemical Properties:

mp 165-167 C(lit.) alpha 12

Chemical Compounds - Natural Compounds