Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-

sodium 4-(3,12-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)pentanoate

Also Known As: Sodium deoxycholate|Na-Desoxycholat|Deoxycholate sodium|Desoxycholate sodium|Sodium desoxycholate|DEOXYCHOLIC ACID|Sodium 7-deoxycholate|Deoxycholic acid sodium salt|Sodium deoxycholic acid|Na-Desoxycholat [German]|Desoxycholic acid sodium salt|7-Deoxycholic acid sodium salt|ATX 101|ATX-101|Dihydroxy 3-12 cholanate de Na|EINECS 206-132-7|AN-1101|Dihydroxy 3-12 cholanate de Na [French]|Natrium-3-alpha,12-alpha-dihydroxycholanat|7-Deoxycholic Acid, Sodium Salt Monohydrate|3??,12??-Dihydroxy-5??-cholanic acid sodium salt|Natrium-3-alpha,12-alpha-dihydroxycholanat [German]|Sodium 3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oate|3-alpha,12-alpha-Dihydroxy-5-beta-cholan-24-oic acid sodium salt|Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3.alpha.,5.beta.,12.alpha.)-|sodium 4-(3,12-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)pentanoate|sodium;4-(3,12-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)pentanoate

Molecular Formula	C24H39NaO4
Molecular Weight	414.2746 g/mol
LogP	0.1472
Topological Polar Surface Area	80.59 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	414.2746
Monoisotopic Mass	414.2746
Heavy Atoms	29
Complexity	611.68805

Chemical Identifiers

CAS Number	302-95-4
SMILES	CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]