Products 1834605-28-5

CAS 1834605-28-5 appears in our catalog under these names: (5Beta,6Alpha)-6-Ethyl-3,7-dioxo-cholan-24-oic Acid, (5b,6a)-6-Ethyl-3,7-dioxo-cholan-24-oic Acid. Offered by: TRC. Available pack sizes: 10mg, 25mg, 50mg.

(5Beta,6Alpha)-6-Ethyl-3,7-dioxo-cholan-24-oic Acid
TRC
  • size: 10mg, 25mg
  • Variants: 2
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(5b,6a)-6-Ethyl-3,7-dioxo-cholan-24-oic Acid
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(4R)-4-[(5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 1834605-28-5) is a chemical compound with the molecular formula C26H40O4 and a molecular weight of 416.6 g/mol. IUPAC name: (4R)-4-[(5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid. InChIKey: OCZIOLLYUOEAQJ-ZOWSFIAQSA-N.

Identity
Molecular formulaC26H40O4
Molecular weight416.6 g/mol
IUPAC name(4R)-4-[(5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyOCZIOLLYUOEAQJ-ZOWSFIAQSA-N
SMILESCC[C@@H]1[C@@H]2CC(=O)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

Computed by PubChem (NCBI)

Synonyms: (5b,6a)-6-Ethyl-3,7-dioxo-cholan-24-oic Acid, Obeticholic Acid Impurity 16, Obeticholic Acid Impurity 63
Isomers (same molecular formula)
(4R)-4-[(3R,5S,8S,9S,10R,13R,14S,17R)-6-ethenyl-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 C26H40O4
[(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-17-propanoyloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] propanoate C26H40O4
(4R)-4-[(3R,5R,6Z,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H40O4
4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid C26H40O4