Isoallolithocholic Acid

(4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-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: Isoallolithocholic acid|isoalloLCA|Isoallolithocholate|Alloisolithocholic acid|Isolithocholic acid|3b-Hydroxy-5a-cholanate|3b-Hydroxy-5a-cholanoate|3b-Hydroxy-5a-cholanic acid|3beta-Hydroxy-5alpha-cholanic acid|3b-hydroxy-5a-cholan-24-oic acid|3b-Hydroxy-5a-cholanoic acid|3beta-Hydroxyallocholanic acid|3?-hydroxy-5?-cholanic acid|3beta-Hydroxy-5alpha-cholan-24-oic Acid|5alpha-cholanic acid-3beta-ol|3b-hydroxy-5a-Cholan-24-oate|3beta-Hydroxy-5alpha-cholansaure|HY-B0172A|Cholan-24-oic acid,3-hydroxy-, (3b,5a)-|3-beta-Hydroxy-5-alpha-cholanic acid|3.beta.-Hydroxy-5.alpha.-cholanic acid|(4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-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|Cholan-24-oic acid, (3.beta.,5.alpha.)-

Molecular Formula	C24H40O3
Molecular Weight	376.29776 g/mol
LogP	5.51
Topological Polar Surface Area	57.53 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	4
Exact Mass	376.29776
Heavy Atoms	27
Complexity	574.0

Chemical Identifiers

CAS Number	2276-93-9
SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C