Murideoxycholic acid
(4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-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: Murideoxycholic acid|Murocholic acid|Murideoxycholate|Murocholate|MDCA|6b-Hydroxylithocholate|6beta-Hydroxylithocholate|alpha-Hyodeoxycholic acid|3a,6b-Dihydroxycholanoate|6beta-hydroxylithocholic acid|6b-Hydroxylithocholic acid|Murideoxycholic acid (MDCA)|3a,6b-Dihydroxycholanoic acid|3alpha,6beta-Dihydroxy-5beta-cholan-24-oic Acid|3a,6b-Dihydroxy-5b-cholanate|5b-Cholanic Acid-3a,6b-diol|3a,6b-Dihydroxy-5b-cholanoate|HY-N0169B|3a,6b-Dihydroxy-5b-cholanic acid|3a,6b-Dihydroxy-5b-cholanoic acid|5beta-Cholanic acid-3alpha,6beta-diol|3alpha,6beta-Dihydroxy-5beta-cholanic acid|3alpha,6beta-Dihydroxy-5beta-cholanoic acid|3a,6b-Dihydroxy-5b-cholan-24-oate|3alpha,6beta-dihydroxycholan-24-oic acid|5|A-Cholanic acid-3|A, 6|A-Diol|3a,6b-Dihydroxy-5b-cholan-24-oic acid|5BETA-CHOLANIC ACID-3ALPHA, 6BETA-DIOL
| Molecular Formula | C24H40O4 |
|---|---|
| Molecular Weight | 392.29266 g/mol |
| LogP | 4.4779 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.29266 |
| Monoisotopic Mass | 392.29266 |
| Heavy Atoms | 28 |
| Complexity | 605.4126 |
Chemical Identifiers
| CAS Number | 668-49-5 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
Product Overview
Murideoxycholic acid (CAS 668-49-5), with molecular formula C24H40O4 and molecular weight 392.29266 g/mol. IUPAC: (4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-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.