Obeticholic Acid Impurity 22

cas: 1908444-27-8 — see every product listed under this CAS number, including other names

Obeticholic Acid Impurity 22 (CAS 1908444-27-8) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg. Offered by: Hubei YoungXin.

brandHubei YoungXin
catalog number15322O-10mg
cas1908444-27-8
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,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 (CAS 1908444-27-8) is a chemical compound with the molecular formula C26H42O4 and a molecular weight of 418.6 g/mol. IUPAC name: (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. InChIKey: NJXXWLPIJNFPHG-ZWVRHZPBSA-N.

Identity
Molecular formulaC26H42O4
Molecular weight418.6 g/mol
IUPAC name(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
InChIKeyNJXXWLPIJNFPHG-ZWVRHZPBSA-N
SMILESC/C=C\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)C)O

Computed by PubChem (NCBI)

Synonyms: 6-Ethylidene-Obeticholic Acid, Obeticholic Acid Impurity 12, (3|A,5|A,7|A)-6-Ethylidene-3,7-dihydroxycholan-24-oic acid, (3|A,5|A,6Z,7|A)-6-Ethylidene-3,7-dihydroxy-Cholan-24-oic acid, (3alpha,5beta,6Z,7alpha)-6-Ethylidene-3,7-dihydroxy-cholan-24-oic Acid
Related forms of this compound
(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
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
(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 C26H42O4
bis(7-methyloctyl) benzene-1,2-dicarboxylate C26H42O4
(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
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
trans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-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

Also listed as

Obeticholic Acid Impurity 42 Chemat Brand CAS 1908444-27-8
6-Vinyl Chenodeoxycholic Acid TRC CAS 1908444-27-8