Cholic Acid Impurity 75

cas: 27240-83-1 — see every product listed under this CAS number, including other names

Cholic Acid Impurity 75 (CAS 27240-83-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC57164
cas27240-83-1
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Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-12-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]pentanoate (CAS 27240-83-1) is a chemical compound with the molecular formula C27H44O5 and a molecular weight of 448.6 g/mol. IUPAC name: methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-12-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]pentanoate. InChIKey: FVYCOKNQUSFTBH-RFTNVYQZSA-N.

Identity
Molecular formulaC27H44O5
Molecular weight448.6 g/mol
IUPAC namemethyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-12-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]pentanoate
InChIKeyFVYCOKNQUSFTBH-RFTNVYQZSA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)O)C

Computed by PubChem (NCBI)

Synonyms: Methyl 3-acetyloxy-12-hydroxydeoxycholan-24-ate, 3-O-Acetyldeoxycholic acid methyl ester, Deoxycholic acid methyl ester 3-acetate, 5|A-Cholanic acid-3|A,12|A-diol 3-acetate methyl ester, Deoxycholic Acid Impurity 75, FVYCOKNQUSFTBH-RFTNVYQZSA-N, Methyl 3alpha-acetoxy-12alpha-hydroxy-5beta-cholan-24-oate
Related forms of this compound
methyl (4R)-4-[(3R,5R,8R,9S,10S,12R,13R,14S,17R)-3-acetyloxy-12-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]pentanoate C27H44O5
Isomers (same molecular formula)
methyl (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-acetyloxy-12-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]pentanoate C27H44O5
methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-acetyloxy-3-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]pentanoate C27H44O5

Also listed as

5β–Cholanic acid–3α,12α–diol 3–acetate methyl ester GLPBio CAS 27240-83-1
5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester, >95%, >95% Chemat CAS 27240-83-1