Obeticholic Acid Impurity 3

cas: 1908444-28-9 — see every product listed under this CAS number, including other names

Obeticholic Acid Impurity 3 (CAS 1908444-28-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULO056004
cas1908444-28-9
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-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]pentanoyl]oxy-7-hydroxy-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 (CAS 1908444-28-9) is a chemical compound with the molecular formula C52H86O7 and a molecular weight of 823.2 g/mol. IUPAC name: (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-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]pentanoyl]oxy-7-hydroxy-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. InChIKey: CJNVDKNEYRWTNW-GBWJVFIXSA-N.

Identity
Molecular formulaC52H86O7
Molecular weight823.2 g/mol
IUPAC name(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-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]pentanoyl]oxy-7-hydroxy-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
InChIKeyCJNVDKNEYRWTNW-GBWJVFIXSA-N
SMILESCC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O[C@@H]5CC[C@@]6([C@H]7CC[C@]8([C@H]([C@@H]7[C@@H]([C@@H]([C@@H]6C5)CC)O)CC[C@@H]8[C@H](C)CCC(=O)O)C)C)C)C)O

Computed by PubChem (NCBI)

Synonyms: 7-epi-Obeticholic acid 3-obeticholate ester, Obeticholic acid dimer impurity, 24-3', Obeticholic Acid Impurity C

Also listed as

Obeticholic Acid Impurity C Chemat Brand CAS 1908444-28-9
Obeticholic Acid Impurity 21 Chemat Brand CAS 1908444-28-9
Obeticholic Acid Impurity 7 Hubei YoungXin CAS 1908444-28-9
7-epi-Obeticholic Acid 3-Obeticholate Ester TRC CAS 1908444-28-9