Products 1311972-97-0

CAS 1311972-97-0 appears in our catalog under these names: Deoxycholic acid Impurity 26, Cholic Acid Impurity 74. Offered by: Chemat Brand. Available pack sizes: on request.

Deoxycholic acid Impurity 26
Chemat Brand
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  • Variants: 1
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Cholic Acid Impurity 74
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

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 (CAS 1311972-97-0) 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,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. InChIKey: FVYCOKNQUSFTBH-AFZDBXOZSA-N.

Identity
Molecular formulaC27H44O5
Molecular weight448.6 g/mol
IUPAC namemethyl (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
InChIKeyFVYCOKNQUSFTBH-AFZDBXOZSA-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: Deoxycholic acid C16, Deoxycholic Acid Impurity 26
Related forms of this compound
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 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