Products 70779-05-4

CAS 70779-05-4 appears in our catalog under these names: Cholic Acid Impurity 33, N-((3a,5b,7a)-3,7-Dihydroxy-24-oxocholan-24-yl)-glycine Ethyl Ester, N-((3Alpha,5Beta,7Alpha)-3,7-Dihydroxy-24-oxocholan-24-yl)-glycine Ethyl Ester. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 10mg, 2,5mg, 5mg.

Cholic Acid Impurity 33
Chemat Brand
  • size: on request
  • Variants: 1
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N-((3a,5b,7a)-3,7-Dihydroxy-24-oxocholan-24-yl)-glycine Ethyl Ester
TRC
  • size: 10mg
  • Variants: 1
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N-((3Alpha,5Beta,7Alpha)-3,7-Dihydroxy-24-oxocholan-24-yl)-glycine Ethyl Ester
TRC
  • size: 2,5mg, 5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

Ethyl 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate (CAS 70779-05-4) is a chemical compound with the molecular formula C28H47NO5 and a molecular weight of 477.7 g/mol. IUPAC name: ethyl 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate. InChIKey: NWOAKEWURXDEEX-QVRKFBGTSA-N.

Identity
Molecular formulaC28H47NO5
Molecular weight477.7 g/mol
IUPAC nameethyl 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
InChIKeyNWOAKEWURXDEEX-QVRKFBGTSA-N
SMILESCCOC(=O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: N-[(3a,5b,7a)-3,7-Dihydroxy-24-oxocholan-24-yl]-glycine Ethyl Ester, N-[(3Alpha,5Beta,7Alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]-glycine Ethyl Ester, Glycocholic Acid Impurity 15
Isomers (same molecular formula)
2-[[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid C28H47NO5
ethyl 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate C28H47NO5