Obeticholic Acid Impurity 5

cas: 915038-26-5 — see every product listed under this CAS number, including other names

Obeticholic Acid Impurity 5 (CAS 915038-26-5) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg. Offered by: Hubei YoungXin.

brandHubei YoungXin
catalog number1535O-10mg
cas915038-26-5
size10mg
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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properties

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Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-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 (CAS 915038-26-5) is a chemical compound with the molecular formula C26H42O4 and a molecular weight of 418.6 g/mol. IUPAC name: (4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-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. InChIKey: LHSZAKRHUYJKIU-CNFLPKCYSA-N.

Identity
Molecular formulaC26H42O4
Molecular weight418.6 g/mol
IUPAC name(4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-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
InChIKeyLHSZAKRHUYJKIU-CNFLPKCYSA-N
SMILESCC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1=O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O

Computed by PubChem (NCBI)

Synonyms: (3alpha,5beta,6alpha)-6-Ethyl-3-hydroxy-7-oxocholan-24-oic acid, Obeticholic Acid Impurity I, (3|A,5|A,6|A)-6-Ethyl-3-hydroxy-7-oxocholan-24-oic acid, 3alpha-hydroxy-6alpha-ethyl-7-keto-5beta-cholan-24-oic acid, 3|A-hydroxy-6-ethyl-7-keto-5|A-cholan-24-oic acid, 3alpha-hydroxy-6-ethyl-7-keto-5beta-cholan-24-oic acid, 3alpha-Hydroxy-6alpha-ethyl-7-keto-5beta-cholanic acid, 6alpha-Ethyl-3alpha-hydroxy-7-keto-5beta-cholan-24-oic acid, Cholan-24-oic acid, 6-ethyl-3-hydroxy-7-oxo-, (3alpha,5beta,6alpha)-, (3?,5?,6?)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid
Related forms of this compound
(4R)-4-[(3R,5S,6S,8S,9S,10S,13R,14S,17R)-6-ethyl-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 C26H42O4
(4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-6-(1,1,2,2,2-pentadeuterioethyl)-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C26H42O4
Isomers (same molecular formula)
dinonyl benzene-1,2-dicarboxylate C26H42O4
bis(7-methyloctyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate C26H42O4
cis-(1S,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C26H42O4
bis(7-methyloctyl) benzene-1,2-dicarboxylate C26H42O4
(4R)-4-[(3R,5R,6Z,7S,8S,9S,10R,13R,14S,17R)-6-ethylidene-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C26H42O4
(4R)-4-[(3R,5R,6Z,7S,8S,9S,10R,13R,14S,17R)-6-ethylidene-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C26H42O4
(4R)-4-[(3R,5R,7R,8S,9S,10R,13R,14S,17R)-6-ethylidene-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C26H42O4
1-O-heptyl 2-O-undecyl benzene-1,2-dicarboxylate C26H42O4
trans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C26H42O4
bis(7-methyloctyl) benzene-1,2-dicarboxylate C26H42O4

Also listed as

Obeticholic Acid Impurity 4 Chemat Brand CAS 915038-26-5
Obeticholic Acid Impurity I Chemat Brand CAS 915038-26-5
Obeticholic Acid Impurity 12 Chemat Brand CAS 915038-26-5
(3a,5b,6a)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid TRC CAS 915038-26-5
(3Alpha,5Beta,6Alpha)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid TRC CAS 915038-26-5
(3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxocholan-24-oic acid, 98%, 98% Chemat CAS 915038-26-5