Products 47676-48-2

CAS 47676-48-2 appears in our catalog under these names: Cholic Acid Impurity 16, Cholic Acid Ethyl Ester. Offered by: Chemat Brand, TRC, Mikromol. Available pack sizes: on request, 50mg, 25mg.

Cholic Acid Impurity 16
Chemat Brand
  • size: on request
  • Variants: 1
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Cholic Acid Ethyl Ester
TRC, Mikromol
  • size: 50mg, 25mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

Ethyl (4R)-4-[(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]pentanoate (CAS 47676-48-2) is a chemical compound with the molecular formula C26H44O5 and a molecular weight of 436.6 g/mol. IUPAC name: ethyl (4R)-4-[(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]pentanoate. InChIKey: FPDXMWHJGOCDQJ-HZAMXZRMSA-N.

Identity
Molecular formulaC26H44O5
Molecular weight436.6 g/mol
IUPAC nameethyl (4R)-4-[(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]pentanoate
InChIKeyFPDXMWHJGOCDQJ-HZAMXZRMSA-N
SMILESCCOC(=O)CC[C@@H](C)[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

Computed by PubChem (NCBI)

Synonyms: ethyl cholate, cholic acid ethyl ester, Ethyl iso-allocholate, Ethyl 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate, Ethyl 3,7,12-trihydroxycholan-24-oate, ethyl isoallocholate, FPDXMWHJGOCDQJ-HZAMXZRMSA-N, Ethyl 3,7,12-trihydroxycholan-24-oate #
Related forms of this compound
ethyl (4R)-4-[(3R,5R,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]pentanoate C26H44O5