(3a,5b,6a)-6-(Ethyl-1,1,2,2,2-d5)-3-hydroxy-7-oxocholan-24-oic Acid

cas: 2025363-77-1 — see every product listed under this CAS number, including other names

(3a,5b,6a)-6-(Ethyl-1,1,2,2,2-d5)-3-hydroxy-7-oxocholan-24-oic Acid (CAS 2025363-77-1) is a chemical reagent available from Chemat. Available pack sizes: 2,5mg. Offered by: TRC.

brandTRC
catalog numberTRC-E945822-2.5MG
cas2025363-77-1
size2,5mg
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Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-6-(1,1,2,2,2-pentadeuterioethyl)-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 2025363-77-1) is a chemical compound with the molecular formula C26H42O4 and a molecular weight of 423.6 g/mol. IUPAC name: (4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-6-(1,1,2,2,2-pentadeuterioethyl)-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid. InChIKey: LHSZAKRHUYJKIU-IWKXABRYSA-N.

Identity
Molecular formulaC26H42O4
Molecular weight423.6 g/mol
IUPAC name(4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-6-(1,1,2,2,2-pentadeuterioethyl)-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyLHSZAKRHUYJKIU-IWKXABRYSA-N
SMILES[2H]C([2H])([2H])C([2H])([2H])[C@@H]1[C@@H]2C[C@@H](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)O

Computed by PubChem (NCBI)

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