Obeticholic Acid Impurity 17

cas: 4185-00-6 — see every product listed under this CAS number, including other names

Obeticholic Acid Impurity 17 (CAS 4185-00-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULO056024
cas4185-00-6
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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7alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid is a 3-oxo steroid that is chenodeoxycholic acid in which the hydroxy group at position 3 has undergone formal oxidation to the corresponding ketone. It has a role as a human metabolite. It is a 3-oxo-5beta-steroid, a bile acid, a monohydroxy-5beta-cholanic acid and a 7alpha-hydroxy steroid. It is a conjugate acid of a 7alpha-hydroxy-3-oxo-5beta-cholan-24-oate.

Source: ChEBI

Identity
Molecular formulaC24H38O4
Molecular weight390.6 g/mol
IUPAC name(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyKNVADAPHVNKTEP-CIGXQKLNSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C

Computed by PubChem (NCBI)

Synonyms: 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid, 3-oxochenodeoxycholic acid, (5beta,7alpha)-7-hydroxy-3-oxocholan-24-oic acid, Dehydrochenodeoxycholic acid, 3-Oxo-7alpha-hydroxycholan-24-oic acid, 3-dehydrochenodeoxycholic acid, Cholan-24-oic acid, 7-hydroxy-3-oxo-, (5beta,7alpha)-, 7a-Hydroxy-3-oxo-5b-cholanoic acid, 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid, 3-Oxo-7a-hydroxy-5b-cholanoic Acid
Related forms of this compound
(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H38O4
(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-7-hydroxy-10,13-dimethyl-3-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H38O4
Isomers (same molecular formula)
dioctan-2-yl benzene-1,2-dicarboxylate C24H38O4
(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H38O4
bis(2-ethylhexyl) benzene-1,3-dicarboxylate C24H38O4
dioctyl benzene-1,4-dicarboxylate C24H38O4
dioctyl benzene-1,2-dicarboxylate C24H38O4
bis(6-methylheptyl) benzene-1,2-dicarboxylate C24H38O4
bis(2-ethylhexyl) benzene-1,2-dicarboxylate C24H38O4
(4R)-4-[(5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H38O4
bis(2-ethylhexyl) benzene-1,4-dicarboxylate C24H38O4
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H38O4

Also listed as

3-Oxo-7a-hydroxy-5b-cholanoic Acid, >95% (HPLC) TRC CAS 4185-00-6
3-Oxo-7Alpha-hydroxy-5Beta-cholanoic Acid, >95% (HPLC) TRC CAS 4185-00-6
3-Oxo-7α-hydroxy-5β-cholanoic acid Biosynth CAS 4185-00-6
3-oxo chenodeoxycholic acid 98% Ambeed CAS 4185-00-6
(5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid, 98%, 98% Chemat CAS 4185-00-6
3-Oxochenodeoxycholic acid, 99.92% MedChemExpress CAS 4185-00-6