Glyco-Obeticholic Acid

cas: 863239-60-5 — see every product listed under this CAS number, including other names

Glyco-Obeticholic Acid (CAS 863239-60-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberRM-O022020
cas863239-60-5
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Structural formula: {0} (CAS {1})

2-[[(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]amino]acetic acid (CAS 863239-60-5) is a chemical compound with the molecular formula C28H47NO5 and a molecular weight of 477.7 g/mol. IUPAC name: 2-[[(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]amino]acetic acid. InChIKey: MTLPUOZJBFHNSO-FCWTVGIUSA-N.

Identity
Molecular formulaC28H47NO5
Molecular weight477.7 g/mol
IUPAC name2-[[(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]amino]acetic acid
InChIKeyMTLPUOZJBFHNSO-FCWTVGIUSA-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)NCC(=O)O)C)C)O

Computed by PubChem (NCBI)

Synonyms: Glyco-obeticholic acid, Glyco-oca, 6-Egcdca, Glycoobeticholic acid, Glycine 6-Ethylchenodeoxycholate, Glycine, N-[(3a,5b,6a,7a)-6-ethyl-3,7-dihydroxy-24-oxocholan-24-yl]-, Glyco Obeticholic Acid, Obeticholic Acid Impurity 19, orb1217577, orb1309625
Isomers (same molecular formula)
ethyl 2-[[(4R)-4-[(3R,5S,7R,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]pentanoyl]amino]acetate C28H47NO5
ethyl 2-[[(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]pentanoyl]amino]acetate C28H47NO5

Also listed as

Glyco–Obeticholic Acid GLPBio CAS 863239-60-5
Glycine 6-Ethylchenodeoxycholate, >95% (HPLC) TRC CAS 863239-60-5
Glyco-Obeticholic acid/ 99.77% (existing batch purity) TargetMol CAS 863239-60-5
Glyco-Obeticholic acid, 97%, 97% Chemat CAS 863239-60-5
Glyco-Obeticholic acid, 98.80% MedChemExpress CAS 863239-60-5
Glyco-obeticholic acid, 98% Fluorochem CAS 863239-60-5