1-beta-Hydroxydeoxycholic Acid

cas: 80434-32-8 — see every product listed under this CAS number, including other names

1-beta-Hydroxydeoxycholic Acid (CAS 80434-32-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC57106
cas80434-32-8
sizeon request
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Structural formula: {0} (CAS {1})

1beta-hydroxydeoxycholic acid is a trihydroxy-5beta-cholanic acid in which the three hydroxy groups are located at positions 1beta, 3alpha, and 12alpha. It has a role as a bile acid metabolite and a human urinary metabolite. It is a trihydroxy-5beta-cholanic acid, a 3beta-hydroxy steroid, a 12alpha-hydroxy steroid and a 1-hydroxy steroid.

Source: ChEBI

Identity
Molecular formulaC24H40O5
Molecular weight408.6 g/mol
IUPAC name(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
InChIKeyDAKYVYUAVGJDRK-FPUZENINSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3([C@@H](C[C@H](C4)O)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: 1beta-hydroxydeoxycholic acid, 1beta,3alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid, Cholan-24-oic acid, 1,3,12-trihydroxy-, (1beta,3alpha,5beta,12alpha)-, 1beta,3alpha,12alpha-Trihydroxy-5beta-cholanoic acid, 1 beta, 3alpha, 12alpha-Trihydroxy-5beta-cholanoic acid, 1|A-Hydroxydeoxycholic Acid, 1?-Hydroxydeoxycholic Acid, 1beta-Hydroxydeoxycholic Acid-D4 (major), 1b,3a,12a-trihydroxy-5b-cholan-24-oic acid, 1beta-OH-deoxycholic acid
Related forms of this compound
4-[(1R,3S,5R,8S,9S,10S,12R,13R,17S)-2,2,4,4-tetradeuterio-1,3,12-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)
(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
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,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-[(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-[(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,5R,6R,7R,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-[(1R,3S,5S,7S,8S,9S,10S,13R,14S,17R)-1,3,7-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
(4S)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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]-3-hydroxypentanoic 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,6S,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

Also listed as

Ursodeoxycholic Acid Impurity 31 Chemat Brand CAS 80434-32-8
Chenodeoxycholic Acid Impurity 13 Hubei YoungXin CAS 80434-32-8
1beta-Hydroxydeoxycholic Acid TRC CAS 80434-32-8
1β-Hydroxydeoxycholic acid, 98.00% MedChemExpress CAS 80434-32-8