Tauro-(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic Acid Sodium Salt

cas: 206111-65-1 — see every product listed under this CAS number, including other names

Tauro-(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic Acid Sodium Salt (CAS 206111-65-1) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-T009165-25MG
cas206111-65-1
size25mg
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properties

purityNo data
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Structural formula: {0} (CAS {1})

Sodium 2-[[(2R,6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoyl]amino]ethanesulfonate (CAS 206111-65-1) is a chemical compound with the molecular formula C29H50NNaO7S and a molecular weight of 579.8 g/mol. IUPAC name: sodium 2-[[(2R,6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoyl]amino]ethanesulfonate. InChIKey: FPBJDVAUVACBKI-WNSSYOJHSA-M.

Identity
Molecular formulaC29H50NNaO7S
Molecular weight579.8 g/mol
IUPAC namesodium 2-[[(2R,6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoyl]amino]ethanesulfonate
InChIKeyFPBJDVAUVACBKI-WNSSYOJHSA-M
SMILESC[C@H](CCC[C@@H](C)C(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+]

Computed by PubChem (NCBI)

Synonyms: Tauro-(25R)-3?,7?,12?-trihydroxy-5?-cholestan-26-oic Acid Sodium Salt