12β-Hydroxyisocholic acid

cas: 71883-64-2 — see every product listed under this CAS number, including other names

12β-Hydroxyisocholic acid (CAS 71883-64-2) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberWCA88364-10mg
cas71883-64-2
size10mg
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properties

categoryControlled Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

3alpha,7alpha,12beta-trihydroxy-5beta-cholanic acid is a trihydroxy-5beta-cholanic acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3, 7 and 12 (the 3alpha,7alpha,12beta stereoisomer). It has a role as a human metabolite. It is a conjugate acid of a 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate.

Source: ChEBI

Identity
Molecular formulaC24H40O5
Molecular weight408.6 g/mol
IUPAC name(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
InChIKeyBHQCQFFYRZLCQQ-KRHHAYMPSA-N
SMILESC[C@H](CCC(=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: 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid, 3alpha,7alpha,12beta-Trihydroxy-5beta-cholan-24-oic Acid, Lagocholic acid, 12beta-Hydroxyisocholic Acid, 12b-Hydroxyisocholic acid, 12|A-Hydroxyisocholic acid, 3a,7a,12b-Trihydroxy-5b-cholanoic acid, 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanoic acid, 12b-Hydroxyisocholate, orb1979965
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,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)-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 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

Ursodeoxycholic Acid Impurity 46 Chemat Brand CAS 71883-64-2
12Beta-Hydroxyisocholic Acid, >95% (HPLC) TRC CAS 71883-64-2
12β-Hydroxyisocholic Acid TargetMol CAS 71883-64-2
12β–Hydroxyisocholic Acid GLPBio CAS 71883-64-2
12β-Hydroxyisocholic acid, 99.66% MedChemExpress CAS 71883-64-2