Products 459789-98-1

CAS 459789-98-1 appears in our catalog under these names: Obeticholic Acid Impurity 46, Obeticholic Acid Impurity 30, Obeticholic Acid Impurity 19, Ethyl (3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oate. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 500mg.

Obeticholic Acid Impurity 46
Chemat Brand
  • size: on request
  • Variants: 1
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Obeticholic Acid Impurity 30
Chemat Brand
  • size: on request
  • Variants: 1
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Obeticholic Acid Impurity 19
Chemat Brand
  • size: on request
  • Variants: 1
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Ethyl (3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oate
TRC
  • size: 500mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Ethyl (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]pentanoate (CAS 459789-98-1) is a chemical compound with the molecular formula C28H48O4 and a molecular weight of 448.7 g/mol. IUPAC name: ethyl (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]pentanoate. InChIKey: MRJRVVBCIAUGPQ-NQGMLVFVSA-N.

Identity
Molecular formulaC28H48O4
Molecular weight448.7 g/mol
IUPAC nameethyl (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]pentanoate
InChIKeyMRJRVVBCIAUGPQ-NQGMLVFVSA-N
SMILESCC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)OCC)C)C)O

Computed by PubChem (NCBI)

Synonyms: Ethyl 3alpha,7alpha-dihydroxy-6alpha-ethyl-5beta-cholan-24-oate, Ethyl (3?,5?,6?,7?)-6-Ethyl-3,7-dihydroxycholan-24-oate, MRJRVVBCIAUGPQ-NQGMLVFVSA-N, Ethyl (3|A,5|A,6|A,7|A)-6-Ethyl-3,7-dihydroxycholan-24-oate
Isomers (same molecular formula)
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one C28H48O4