(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-5-carboxylic acid structure

(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-5-carboxylic acid

(3R,5R,7R,8R,9S,10R,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid

Also Known As: 5-Thca|Tryhydroxycoprostanate|Trihydroxycoprostanoic acid|Trihydroxycoprostanoate|Tryhydroxycoprostanic acid|3,7,12-trihydroxycoprostanic acid|3,7,12-trihydroxycoprostanate|3alpha,7alpha,12alpha-Trihydroxycoprostanic acid|KST-1A8939|3alpha,7alpha,12alpha-Trihydroxycoprostanate|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoic acid|(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-5-carboxylic acid|3,7,12-Trihydroxycoprostanic acid(27,27,27-d3)|(3|A,5|A,7|A,12|A)-3,7,12-trihydroxycholestane-5-carboxylic acid|(3a,5b,7a,12a)-3,7,12-trihydroxy-Cholestane-5-carboxylate|(3R,5R,7R,8R,9S,10R,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid|3 alpha,7 alpha,12 alpha-trihydroxy-5 beta-cholestanoic acid|3,7,12-TRIHYDROXYCOPROSTANIC ACID (27,27,27-D3)|(3a,5b,7a,12a)-3,7,12-trihydroxy-Cholestane-5-carboxylic acid|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane-5-carboxylic acid|(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-5-carboxylate|Cholestane-5-carboxylicacid, 3,7,12-trihydroxy-, (3a,5b,7a,12a)- (9CI)|(3 alpha,5 beta,7 alpha,12 alpha)-3,7,12-trihydroxycholestane-5-carboxylic acid|(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-cholestane-5-carboxylic acid|(3I+/-,5I(2),7I+/-,12I+/-)-3,7,12-Trihydroxycholestane-5-carboxylic acid|3,7,12-Trihydroxycholestane-5-carboxylic acid, (3alpha,5beta,7alpha,12alpha)-|Cholestane-5-carboxylic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-

CAS: 863-39-8
Molecular Formula C28H48O5
Molecular Weight 464.3502 g/mol
LogP 4.87
Topological Polar Surface Area 97.99 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 464.3502
Heavy Atoms 33
Complexity 737.8

Chemical Identifiers

CAS Number 863-39-8
SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@]4([C@@]3(CC[C@H](C4)O)C)C(=O)O)O)O)C

Product Overview

(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-5-carboxylic acid (CAS 863-39-8), with molecular formula C28H48O5 and molecular weight 464.3502 g/mol. IUPAC: (3R,5R,7R,8R,9S,10R,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid.

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