Cholic Acid-24-13C

cas: 52886-36-9 — see every product listed under this CAS number, including other names

Cholic Acid-24-13C (CAS 52886-36-9) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 1mg, 2mg. Offered by: TRC.

brandTRC
catalog numberTRC-C432601-10MG
cas52886-36-9
size10mg
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Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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](113C)pentanoic acid (CAS 52886-36-9) is a chemical compound with the molecular formula C24H40O5 and a molecular weight of 409.6 g/mol. IUPAC name: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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](113C)pentanoic acid. InChIKey: BHQCQFFYRZLCQQ-HFINQHRVSA-N.

Identity
Molecular formulaC24H40O5
Molecular weight409.6 g/mol
IUPAC name(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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](113C)pentanoic acid
InChIKeyBHQCQFFYRZLCQQ-HFINQHRVSA-N
SMILESC[C@H](CC[13C](=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: cholic acid-24-13c, Cholic acid-13C, Cholic-24-13C acid, Cholic acid, 24-C-13, (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholan-24-oic-24-13c acid, Cholan-24-oic-24-13c acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-, (3a,5ss,7a,12a)-3,7,12-Trihydroxycholan-24-oic-24-13C acid, orb3138381, Cholic-24-13C acid, 99 atom % 13C, 98% (CP), Cholic-24-13C acid, 99 atom % 13C, 98% (CP), S & P tested
Related forms of this compound
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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 C24H40O5
(4R)-4-[(3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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 C24H40O5
(4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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 C24H40O5
(4R)-4-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-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 C24H40O5
(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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 C24H40O5
(4R)-4-[(3R,5S,7S,8R,9S,10S,12R,13R,14S,17R)-3,7,12-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 C24H40O5
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7,12-trihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O5
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O5
Isomers (same molecular formula)
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoate C24H40O5
(4R)-4-[(3R,5R,6R,7S,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 C24H40O5
(4R)-4-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O5
(4R)-4-[(1R,3S,5R,8S,9S,10S,12S,13R,14S,17R)-1,3,12-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 C24H40O5

Also listed as

Cholic Acid-24-13C, 99 atom % 13C, min 98% Chemical Purity CDN CAS 52886-36-9
Cholic acid–13C GLPBio CAS 52886-36-9
Cholic Acid-13C, 98%, 98% Chemat CAS 52886-36-9
Cholic acid-13C, 99.17% MedChemExpress CAS 52886-36-9