omega-Muricholic acid

(4R)-4-[(3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Also Known As: omega-muricholic acid|omega-MCA|omega-Muricholate|Muricholic acid|w-Muricholate||O-Muricholic Acid|?-Muricholic Acid|w-Muricholic acid|_-Muricholic acid|wMCA|??-Muricholic acid|3a,6a,7b-Trihydroxy-5b-cholanoic acid|Ursodeoxycholic Acid Impurity 28|3a,6a,7b-Trihydroxy-5b-cholanoate|3alpha,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid|(3a,5b,6a,7b)-3,6,7-trihydroxy-Cholan-24-oic acid|3a,6a,7b-trihydroxy-5b-Cholan-24-oate|3a,6a,7b-trihydroxy-5b-Cholan-24-oic acid|(4R)-4-[(3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid|(3alpha,5beta,6alpha,7beta)-3,6,7-trihydroxycholan-24-oic acid|(4R)-4-[(1R,3aS,3bS,4R,5R,5aR,7R,9aR,9bS,11aR)-4,5,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid|(R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid|N/A

Molecular Formula	C24H40O5
Molecular Weight	408.28757 g/mol
LogP	3.4487
Topological Polar Surface Area	97.99 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	408.28757
Monoisotopic Mass	408.28757
Heavy Atoms	29
Complexity	636.76056

Chemical Identifiers

CAS Number	6830-03-1
SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C