Obeticholic Acid Impurity 19

cas: 915038-27-6 — see every product listed under this CAS number, including other names

Obeticholic Acid Impurity 19 (CAS 915038-27-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberAO-O0034.20
cas915038-27-6
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Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5S,6S,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]pentanoic acid (CAS 915038-27-6) is a chemical compound with the molecular formula C26H44O4 and a molecular weight of 420.6 g/mol. IUPAC name: (4R)-4-[(3R,5S,6S,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]pentanoic acid. InChIKey: ZXERDUOLZKYMJM-XHCXGMTMSA-N.

Identity
Molecular formulaC26H44O4
Molecular weight420.6 g/mol
IUPAC name(4R)-4-[(3R,5S,6S,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]pentanoic acid
InChIKeyZXERDUOLZKYMJM-XHCXGMTMSA-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)C)O

Computed by PubChem (NCBI)

Synonyms: 6-epi-Obeticholic Acid, Obeticholic acid I, Obeticholic acid Impurity 03, Obeticholic Acid Impurity 2, (3alpha,5beta,6beta,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid, Cholan-24-oic acid, 6-ethyl-3,7-dihydroxy-, (3alpha,5beta,6beta,7alpha)-, 6-epi-ObeticholicAcid, (3|A,5|A,6|A,7|A)-6-Ethyl-3,7-dihydroxycholan-24-oic acid, (3a,5b,6b,7a)-6-Ethyl-3,7-dihydroxycholan-24-oic acid
Related forms of this compound
(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]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6S,7S,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]pentanoic acid C26H44O4
(4R)-4-[(3S,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]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6R,7S,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]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-6-(1,1,2,2,2-pentadeuterioethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-6-ethyl-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H44O4
Isomers (same molecular formula)
(2-hydroxy-3-phenylmethoxypropyl) hexadecanoate C26H44O4
ethyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-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]pentanoate C26H44O4
ethyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoate C26H44O4

Also listed as

6-epi-Obeticholic Acid TRC CAS 915038-27-6
Obeticholic Acid Impurity 2 Chemat Brand CAS 915038-27-6
(3a,5b,6b,7a)-6-Ethyl-3,7-dihydroxycholan-24-oic acid Biosynth CAS 915038-27-6