7-epi-Obeticholic Acid 3-Obeticholate Ester

cas: 1908444-28-9 — see every product listed under this CAS number, including other names

7-epi-Obeticholic Acid 3-Obeticholate Ester (CAS 1908444-28-9) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 2mg, 1mg, 5mg, 10mg. Offered by: TRC, Biosynth.

brandTRC
catalog numberTRC-O099105-25MG
cas1908444-28-9
size25mg
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properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-[(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]oxy-7-hydroxy-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 1908444-28-9) is a chemical compound with the molecular formula C52H86O7 and a molecular weight of 823.2 g/mol. IUPAC name: (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-[(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]oxy-7-hydroxy-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: CJNVDKNEYRWTNW-GBWJVFIXSA-N.

Identity
Molecular formulaC52H86O7
Molecular weight823.2 g/mol
IUPAC name(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-[(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]oxy-7-hydroxy-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
InChIKeyCJNVDKNEYRWTNW-GBWJVFIXSA-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@@H]5CC[C@@]6([C@H]7CC[C@]8([C@H]([C@@H]7[C@@H]([C@@H]([C@@H]6C5)CC)O)CC[C@@H]8[C@H](C)CCC(=O)O)C)C)C)C)O

Computed by PubChem (NCBI)

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